diff --git a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_C-C.skf b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_C-C.skf index 49e23489..2c20a8be 100644 --- a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_C-C.skf +++ b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_C-C.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -1.779678016623E-01 -6.208094120453E-01 -1.015309218651E-01 0.000000000000E+00 3.518180000262E-01 3.518180000262E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 +0.200000 32 + 0.000000000000E+00 -1.779678016557E-01 -6.208094120334E-01 -1.015309218653E-01 0.000000000000E+00 3.518180024075E-01 3.518180024075E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 1.201000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -30,65 +30,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.292939659295E-01 -1.192030942778E+00 0.000000000000E+00 -9.658459391075E-02 -1.114810130462E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.747688611577E-01 8.839942161014E-01 0.000000000000E+00 -2.077884161508E-01 8.636726885421E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.907980935083E-01 -1.173123983280E+00 0.000000000000E+00 -7.347177767297E-02 -1.093547192585E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.563493046908E-01 8.769485297652E-01 0.000000000000E+00 -2.162535695962E-01 8.580636483043E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.529965703442E-01 -1.154207266119E+00 0.000000000000E+00 -5.017765534356E-02 -1.074266909718E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.377159398244E-01 8.697641821266E-01 0.000000000000E+00 -2.247242662396E-01 8.524954766091E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.159346204625E-01 -1.135303619722E+00 0.000000000000E+00 -2.679690116473E-02 -1.056815551714E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.188934158928E-01 8.624476743871E-01 0.000000000000E+00 -2.331887916023E-01 8.469681355851E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.796516444037E-01 -1.116434401889E+00 0.000000000000E+00 -3.416692658758E-03 -1.041045253637E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.999058940979E-01 8.550054607728E-01 0.000000000000E+00 -2.416355580453E-01 8.414809729943E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.441815658501E-01 -1.097619549156E+00 0.000000000000E+00 1.988301448560E-02 -1.026814442579E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.807770207024E-01 8.474439409074E-01 0.000000000000E+00 -2.500531456694E-01 8.360328009677E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.095531747276E-01 -1.078877627660E+00 0.000000000000E+00 4.302919310676E-02 -1.013988133182E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.615299032979E-01 8.397694527564E-01 0.000000000000E+00 -2.584303390385E-01 8.306219693716E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.757904647136E-01 -1.060225885084E+00 0.000000000000E+00 6.595543793693E-02 -1.002438112586E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.421870899631E-01 8.319882661117E-01 0.000000000000E+00 -2.667561599854E-01 8.252464339032E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.429129633415E-01 -1.041680303309E+00 0.000000000000E+00 8.860165006262E-02 -9.920430326240E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.227705511397E-01 8.241065765944E-01 0.000000000000E+00 -2.750198967452E-01 8.199038190586E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.109360531291E-01 -1.023255651440E+00 0.000000000000E+00 1.109137163150E-01 -9.826884246486E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.033016640588E-01 8.161305001471E-01 0.000000000000E+00 -2.832111296561E-01 8.145914761413E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.798712823973E-01 -1.004965538889E+00 0.000000000000E+00 1.328431869108E-01 -9.742666502296E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.838011995632E-01 8.080660679941E-01 0.000000000000E+00 -2.913197536544E-01 8.093065365061E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.497266646772E-01 -9.868224682578E-01 0.000000000000E+00 1.543469542065E-01 -9.666767991935E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.642893111725E-01 7.999192220453E-01 0.000000000000E+00 -2.993359977796E-01 8.040459602462E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.205069658269E-01 -9.688378877618E-01 0.000000000000E+00 1.753869350120E-01 -9.598245449024E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.447855262509E-01 7.916958107214E-01 0.000000000000E+00 -3.072504418977E-01 7.988065805418E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.922139782083E-01 -9.510222429802E-01 0.000000000000E+00 1.959297585347E-01 -9.536219653259E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.253087391407E-01 7.834015851796E-01 0.000000000000E+00 -3.150540308354E-01 7.935851438976E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.648467814900E-01 -9.333850277459E-01 0.000000000000E+00 2.159464616752E-01 -9.479873372846E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.058772061307E-01 7.750421959184E-01 0.000000000000E+00 -3.227380861130E-01 7.883783464939E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.384019898450E-01 -9.159348340010E-01 0.000000000000E+00 2.354121930753E-01 -9.428449102101E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.865085421358E-01 7.666231897437E-01 0.000000000000E+00 -3.302943154488E-01 7.831828668813E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.128739855031E-01 -8.986794004747E-01 0.000000000000E+00 2.543059270237E-01 -9.381246648610E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.672197189703E-01 7.581500070748E-01 0.000000000000E+00 -3.377148202031E-01 7.779953952429E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.825513878659E-02 -8.816256600581E-01 0.000000000000E+00 2.726101880548E-01 -9.337620616306E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.480270650997E-01 7.496279795740E-01 0.000000000000E+00 -3.449921009167E-01 7.728126594434E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.453601493729E-02 -8.647797857687E-01 0.000000000000E+00 2.903107868238E-01 -9.296977823755E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.289462667635E-01 7.410623280819E-01 0.000000000000E+00 -3.521190610921E-01 7.676314480820E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.170556820468E-02 -8.481472352147E-01 0.000000000000E+00 3.073965676027E-01 -9.258774690562E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.099923703673E-01 7.324581608413E-01 0.000000000000E+00 -3.590890093586E-01 7.624486307549E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.975132373645E-02 -8.317327934840E-01 0.000000000000E+00 3.238591675550E-01 -9.222514619295E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.911797860429E-01 7.238204719942E-01 0.000000000000E+00 -3.658956601509E-01 7.572611757284E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.340452288404E-03 -8.155406144008E-01 0.000000000000E+00 3.396927878244E-01 -9.187745395551E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.725222922849E-01 7.151541403357E-01 0.000000000000E+00 -3.725331330272E-01 7.520661652147E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.158459397518E-02 -7.995742601026E-01 0.000000000000E+00 3.548939764214E-01 -9.154056624881E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.540330415737E-01 7.064639283111E-01 0.000000000000E+00 -3.789959507438E-01 7.468608084332E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.099688806892E-02 -7.838367389052E-01 0.000000000000E+00 3.694614227884E-01 -9.121077221808E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.357245668991E-01 6.977544812406E-01 0.000000000000E+00 -3.852790361966E-01 7.416424526314E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.959393661800E-02 -7.683305414337E-01 0.000000000000E+00 3.833957637490E-01 -9.088472962733E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.176087891059E-01 6.890303267589E-01 0.000000000000E+00 -3.913777083336E-01 7.364085922326E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.739302933817E-02 -7.530576750152E-01 0.000000000000E+00 3.966994005041E-01 -9.055944111855E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.996970249829E-01 6.802958744570E-01 0.000000000000E+00 -3.972876771370E-01 7.311568762642E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.441202583486E-02 -7.380196963448E-01 0.000000000000E+00 4.093763265770E-01 -9.023223128055E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.819999960251E-01 6.715554157116E-01 0.000000000000E+00 -4.030050377663E-01 7.258851142168E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.106692479332E-01 -7.232177424499E-01 0.000000000000E+00 4.214319666908E-01 -8.990072459555E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.645278377981E-01 6.628131236929E-01 0.000000000000E+00 -4.085262639504E-01 7.205912804715E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.261833814431E-01 -7.086525599829E-01 0.000000000000E+00 4.328730262232E-01 -8.956282430636E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.472901098438E-01 6.540730535371E-01 0.000000000000E+00 -4.138482007093E-01 7.152735174272E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.409733865269E-01 -6.943245328901E-01 0.000000000000E+00 4.437073507654E-01 -8.921669222706E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.302958060634E-01 6.453391426735E-01 0.000000000000E+00 -4.189680564813E-01 7.099301374482E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.550584168461E-01 -6.802337085204E-01 0.000000000000E+00 4.539437956773E-01 -8.886072952423E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.135533655233E-01 6.366152112956E-01 0.000000000000E+00 -4.238833947293E-01 7.045596237487E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.684577474934E-01 -6.663798222400E-01 0.000000000000E+00 4.635921055138E-01 -8.849355848866E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.707068362830E-02 6.279049629658E-01 0.000000000000E+00 -4.285921250909E-01 6.991606303197E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.811907106876E-01 -6.527623206216E-01 0.000000000000E+00 4.726628027494E-01 -8.811400529083E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.085512361468E-02 6.192119853452E-01 0.000000000000E+00 -4.330924941361E-01 6.937319809971E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.932766385154E-01 -6.393803832834E-01 0.000000000000E+00 4.811670852939E-01 -8.772108370699E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.491352831401E-02 6.105397510375E-01 0.000000000000E+00 -4.373830757917E-01 6.882726677647E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.047348124301E-01 -6.262329434569E-01 0.000000000000E+00 4.891167324672E-01 -8.731397980429E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.925223214609E-02 6.018916185404E-01 0.000000000000E+00 -4.414627614847E-01 6.827818483774E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.155844187185E-01 -6.133187073566E-01 0.000000000000E+00 4.965240188640E-01 -8.689203755804E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.387707329976E-02 5.932708332945E-01 0.000000000000E+00 -4.453307500578E-01 6.772588433829E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.258445091174E-01 -6.006361724227E-01 0.000000000000E+00 5.034016354943E-01 -8.645474536613E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.879340606440E-02 5.846805288227E-01 0.000000000000E+00 -4.489865375020E-01 6.717031326169E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.355339660052E-01 -5.881836445085E-01 0.000000000000E+00 5.097626176729E-01 -8.600172342492E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.006113277430E-03 5.761237279530E-01 0.000000000000E+00 -4.524299065508E-01 6.661143512391E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.446714715406E-01 -5.759592540756E-01 0.000000000000E+00 5.156202790974E-01 -8.553271192639E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.048038114407E-02 5.676033441166E-01 0.000000000000E+00 -4.556609161756E-01 6.604922853716E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.532754801809E-01 -5.639609714592E-01 0.000000000000E+00 5.209881515736E-01 -8.504756003368E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.466209961726E-02 5.591221827154E-01 0.000000000000E+00 -4.586798910206E-01 6.548368673984E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.364507045034E-02 -1.531814580917E-03 0.000000000000E+00 9.502143509031E-03 -6.143144619929E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.407513443537E-03 7.759884204177E-04 0.000000000000E+00 -4.511606225198E-03 2.390046050389E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.039144383033E-02 -1.096917387746E-03 0.000000000000E+00 7.040401754656E-03 -4.459961723493E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.905874258865E-03 5.222252664348E-04 0.000000000000E+00 -3.139863876305E-03 1.653519844142E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.831806001082E-03 -7.796445185321E-04 0.000000000000E+00 5.172976618112E-03 -3.215580118872E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.099156377139E-03 3.511468672376E-04 0.000000000000E+00 -2.174667244471E-03 1.141170147165E-03 RangeSep CAM 0.300000 0.200000 0.460000 diff --git a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_C-N.skf b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_C-N.skf index 3048c1b3..1ffb4fbc 100644 --- a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_C-N.skf +++ b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_C-N.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 32 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -29,65 +29,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.745583934761E-01 -1.436737387604E+00 0.000000000000E+00 -2.327209877465E-01 -1.264416825808E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.212766154625E-01 8.543847519860E-01 0.000000000000E+00 -1.592080819649E-01 8.354634236655E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.249932322472E-01 -1.411209859789E+00 0.000000000000E+00 -2.008309570590E-01 -1.244475758337E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.012534817312E-01 8.465426669682E-01 0.000000000000E+00 -1.672525905475E-01 8.298824250000E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.765869037172E-01 -1.385748108567E+00 0.000000000000E+00 -1.688089007269E-01 -1.226700810472E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.810642305882E-01 8.385623174713E-01 0.000000000000E+00 -1.753469130431E-01 8.243487881202E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.293872391771E-01 -1.360382159629E+00 0.000000000000E+00 -1.367920066550E-01 -1.210883971523E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.607377646518E-01 8.304516790231E-01 0.000000000000E+00 -1.834752921457E-01 8.188600754055E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.834337945008E-01 -1.335139754872E+00 0.000000000000E+00 -1.049049088561E-01 -1.196828545043E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.403021916383E-01 8.222186273081E-01 0.000000000000E+00 -1.916222120233E-01 8.134133070735E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.387584710109E-01 -1.310046452999E+00 0.000000000000E+00 -7.326029064514E-02 -1.184349334595E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.197847994421E-01 8.138709293521E-01 0.000000000000E+00 -1.997724539150E-01 8.080050577713E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.953861158323E-01 -1.285125730578E+00 0.000000000000E+00 -4.195950583289E-02 -1.173272671723E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.992120354822E-01 8.054162355454E-01 0.000000000000E+00 -2.079111452320E-01 8.026315448375E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.533350991485E-01 -1.260399082862E+00 0.000000000000E+00 -1.109320907053E-02 -1.163436315581E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.786094900062E-01 7.968620724538E-01 0.000000000000E+00 -2.160238025977E-01 7.972887085789E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.126178663803E-01 -1.235886123793E+00 0.000000000000E+00 1.925801219134E-02 -1.154689249322E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.580018830597E-01 7.882158363755E-01 0.000000000000E+00 -2.240963692405E-01 7.919722849385E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.732414638674E-01 -1.211604684647E+00 0.000000000000E+00 4.902301048108E-02 -1.146891394645E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.374130548446E-01 7.794847875984E-01 0.000000000000E+00 -2.321152471412E-01 7.866778709556E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.352080371361E-01 -1.187570910892E+00 0.000000000000E+00 7.813946109547E-02 -1.139913262665E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.168659592073E-01 7.706760453177E-01 0.000000000000E+00 -2.400673243129E-01 7.814009834285E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.985153012999E-01 -1.163799356851E+00 0.000000000000E+00 1.065532592005E-01 -1.133635556540E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.963826600081E-01 7.617965831740E-01 0.000000000000E+00 -2.479399975785E-01 7.761371112017E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.631569835637E-01 -1.140303077852E+00 0.000000000000E+00 1.342179346690E-01 -1.127948738878E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.759843301392E-01 7.528532253743E-01 0.000000000000E+00 -2.557211911890E-01 7.708817614901E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.291232381642E-01 -1.117093719576E+00 0.000000000000E+00 1.610940873002E-01 -1.122752574878E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.556912529721E-01 7.438526433603E-01 0.000000000000E+00 -2.633993716114E-01 7.656305006545E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.640103435467E-02 -1.094181604381E+00 0.000000000000E+00 1.871488443829E-01 -1.117955660329E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.355228260239E-01 7.348013529891E-01 0.000000000000E+00 -2.709635587965E-01 7.603789898294E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.497451822660E-02 -1.071575814407E+00 0.000000000000E+00 2.123553419798E-01 -1.113474942063E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.154975666482E-01 7.257057121947E-01 0.000000000000E+00 -2.784033342193E-01 7.551230157904E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.482534928093E-02 -1.049284271324E+00 0.000000000000E+00 2.366922308137E-01 -1.109235237075E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.956331195626E-01 7.165719190980E-01 0.000000000000E+00 -2.857088459712E-01 7.498585174381E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.933012733550E-03 -1.027313812610E+00 0.000000000000E+00 2.601432072287E-01 -1.105168755382E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.759462660399E-01 7.074060105366E-01 0.000000000000E+00 -2.928708111649E-01 7.445816082547E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.172489144886E-02 -1.005670264300E+00 0.000000000000E+00 2.826965693794E-01 -1.101214630717E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.564529345965E-01 6.982138609853E-01 0.000000000000E+00 -2.998805159007E-01 7.392885950751E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.817238187977E-02 -9.843585101599E-01 0.000000000000E+00 3.043447985993E-01 -1.097318462305E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.371682130243E-01 6.890011818415E-01 0.000000000000E+00 -3.067298130241E-01 7.339759934953E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.343485068088E-02 -9.633825573114E-01 0.000000000000E+00 3.250841657713E-01 -1.093431870339E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.181063616195E-01 6.797735210487E-01 0.000000000000E+00 -3.134111178959E-01 7.286405402233E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.753883926090E-02 -9.427455983276E-01 0.000000000000E+00 3.449143623842E-01 -1.089512067149E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.992808274735E-01 6.705362630345E-01 0.000000000000E+00 -3.199174023779E-01 7.232792026581E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.205118341059E-01 -9.224500698827E-01 0.000000000000E+00 3.638381558070E-01 -1.085521445624E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.807042596962E-01 6.612946289396E-01 0.000000000000E+00 -3.262421872266E-01 7.178891859671E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.423820816610E-01 -9.024977080492E-01 0.000000000000E+00 3.818610682040E-01 -1.081427185982E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.623885254543E-01 6.520536771163E-01 0.000000000000E+00 -3.323795330747E-01 7.124679379106E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.631784213417E-01 -8.828896003670E-01 0.000000000000E+00 3.989910784434E-01 -1.077200881647E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.443447267134E-01 6.428183038749E-01 0.000000000000E+00 -3.383240301671E-01 7.070131516491E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.829301356079E-01 -8.636262348238E-01 0.000000000000E+00 4.152383462262E-01 -1.072818184692E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.265832175795E-01 6.335932444589E-01 0.000000000000E+00 -3.440707870078E-01 7.015227667488E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.016668158977E-01 -8.447075458982E-01 0.000000000000E+00 4.306149575042E-01 -1.068258470993E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.091136221460E-01 6.243830742300E-01 0.000000000000E+00 -3.496154180621E-01 6.959949685881E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.194182430916E-01 -8.261329578238E-01 0.000000000000E+00 4.451346901342E-01 -1.063504524994E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.194485275632E-02 6.151922100453E-01 0.000000000000E+00 -3.549540306485E-01 6.904281863484E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.362142810798E-01 -8.079014252334E-01 0.000000000000E+00 4.588127986185E-01 -1.058542243773E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.508512860091E-02 6.060249118097E-01 0.000000000000E+00 -3.600832111446E-01 6.848210897632E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.520847820146E-01 -7.900114713401E-01 0.000000000000E+00 4.716658167091E-01 -1.053360359885E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.854199457404E-02 5.968852841883E-01 0.000000000000E+00 -3.650000106212E-01 6.791725847808E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.670595019187E-01 -7.724612238067E-01 0.000000000000E+00 4.837113766213E-01 -1.047950182358E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.232234032053E-02 5.877772784628E-01 0.000000000000E+00 -3.697019300102E-01 6.734818082868E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.811680253798E-01 -7.552484484470E-01 0.000000000000E+00 4.949680436036E-01 -1.042305355077E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.643241941012E-02 5.787046945199E-01 0.000000000000E+00 -3.741869049032E-01 6.677481220168E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.944396981902E-01 -7.383705808938E-01 0.000000000000E+00 5.054551646440E-01 -1.036421631741E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.087786858153E-02 5.696711829558E-01 0.000000000000E+00 -3.784532900694E-01 6.619711057816E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.069035669714E-01 -7.218247563593E-01 0.000000000000E+00 5.151927301676E-01 -1.030296666547E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.336272995751E-03 5.606802472866E-01 0.000000000000E+00 -3.824998437730E-01 6.561505501148E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.185883249721E-01 -7.056078376028E-01 0.000000000000E+00 5.242012476657E-01 -1.023929819732E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.920554448951E-02 5.517352462527E-01 0.000000000000E+00 -3.863257119641E-01 6.502864484412E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.295222633912E-01 -6.897164412109E-01 0.000000000000E+00 5.325016262917E-01 -1.017321977138E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.372604424520E-02 5.428393962050E-01 0.000000000000E+00 -3.899304124099E-01 6.443789888590E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.397332277172E-01 -6.741469622881E-01 0.000000000000E+00 5.401150715623E-01 -1.010475382984E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.789441073711E-02 5.339957735641E-01 0.000000000000E+00 -3.933138188252E-01 6.384285456158E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.492485786927E-01 -6.588955976444E-01 0.000000000000E+00 5.470629893982E-01 -1.003393485057E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.170780366476E-02 5.252073173426E-01 0.000000000000E+00 -3.964761450580E-01 6.324356703533E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.580951576062E-01 -6.439583675604E-01 0.000000000000E+00 5.533668988233E-01 -9.960807916077E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.516388522492E-02 5.164768317215E-01 0.000000000000E+00 -3.994179293767E-01 6.264010831872E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.662992556801E-01 -6.293311362028E-01 0.000000000000E+00 5.590483527222E-01 -9.885427392333E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.826080158657E-02 5.078069886726E-01 0.000000000000E+00 -4.021400189038E-01 6.203256636812E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.881359095311E-03 -1.062043604050E-03 0.000000000000E+00 6.445264378460E-03 -3.915329329160E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.351621165214E-03 3.720318463247E-04 0.000000000000E+00 -2.181568980848E-03 1.202234353790E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.350282174715E-03 -7.517458323177E-04 0.000000000000E+00 4.711132128648E-03 -2.784482294696E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.934421593318E-03 2.438905738470E-04 0.000000000000E+00 -1.468035309964E-03 8.162546755092E-04 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.421435355881E-03 -5.301417995981E-04 0.000000000000E+00 3.425536352950E-03 -1.971250684977E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.957036160313E-03 1.608095288931E-04 0.000000000000E+00 -9.881571303609E-04 5.561602336628E-04 RangeSep CAM 0.300000 0.200000 0.460000 diff --git a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_N-C.skf b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_N-C.skf index 15686193..229a5933 100644 --- a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_N-C.skf +++ b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_N-C.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 32 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -29,65 +29,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.745583934761E-01 -1.436737387604E+00 0.000000000000E+00 1.813536250785E-01 -1.264416825808E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.212766154625E-01 8.543847519860E-01 0.000000000000E+00 -2.885026056921E-01 8.354634236655E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.249932322472E-01 -1.411209859789E+00 0.000000000000E+00 2.117796961599E-01 -1.244475758337E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.012534817312E-01 8.465426669682E-01 0.000000000000E+00 -2.985711027872E-01 8.298824250000E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.765869037172E-01 -1.385748108567E+00 0.000000000000E+00 2.418693816743E-01 -1.226700810472E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.810642305882E-01 8.385623174713E-01 0.000000000000E+00 -3.085393908779E-01 8.243487881202E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.293872391771E-01 -1.360382159629E+00 0.000000000000E+00 2.715271166306E-01 -1.210883971523E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.607377646518E-01 8.304516790231E-01 0.000000000000E+00 -3.183944263799E-01 8.188600754055E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.834337945008E-01 -1.335139754872E+00 0.000000000000E+00 3.006676085183E-01 -1.196828545043E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.403021916383E-01 8.222186273081E-01 0.000000000000E+00 -3.281235804518E-01 8.134133070735E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.387584710109E-01 -1.310046452999E+00 0.000000000000E+00 3.292152550031E-01 -1.184349334595E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.197847994421E-01 8.138709293521E-01 0.000000000000E+00 -3.377146734136E-01 8.080050577713E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.953861158323E-01 -1.285125730578E+00 0.000000000000E+00 3.571035594345E-01 -1.173272671723E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.992120354822E-01 8.054162355454E-01 0.000000000000E+00 -3.471560038829E-01 8.026315448375E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.533350991485E-01 -1.260399082862E+00 0.000000000000E+00 3.842745504027E-01 -1.163436315581E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.786094900062E-01 7.968620724538E-01 0.000000000000E+00 -3.564363730549E-01 7.972887085789E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.126178663803E-01 -1.235886123793E+00 0.000000000000E+00 4.106782104962E-01 -1.154689249322E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.580018830597E-01 7.882158363755E-01 0.000000000000E+00 -3.655451045285E-01 7.919722849385E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.732414638674E-01 -1.211604684647E+00 0.000000000000E+00 4.362719184386E-01 -1.146891394645E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.374130548446E-01 7.794847875984E-01 0.000000000000E+00 -3.744720600557E-01 7.866778709556E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.352080371361E-01 -1.187570910892E+00 0.000000000000E+00 4.610199079448E-01 -1.139913262665E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.168659592073E-01 7.706760453177E-01 0.000000000000E+00 -3.832076515684E-01 7.814009834285E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.985153012999E-01 -1.163799356851E+00 0.000000000000E+00 4.848927458794E-01 -1.133635556540E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.963826600081E-01 7.617965831740E-01 0.000000000000E+00 -3.917428498153E-01 7.761371112017E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.631569835637E-01 -1.140303077852E+00 0.000000000000E+00 5.078668316392E-01 -1.127948738878E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.759843301392E-01 7.528532253743E-01 0.000000000000E+00 -4.000691899159E-01 7.708817614901E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.291232381642E-01 -1.117093719576E+00 0.000000000000E+00 5.299239190850E-01 -1.122752574878E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.556912529721E-01 7.438526433603E-01 0.000000000000E+00 -4.081787741207E-01 7.656305006545E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.640103435467E-02 -1.094181604381E+00 0.000000000000E+00 5.510506618447E-01 -1.117955660329E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.355228260239E-01 7.348013529891E-01 0.000000000000E+00 -4.160642720437E-01 7.603789898294E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.497451822660E-02 -1.071575814407E+00 0.000000000000E+00 5.712381823904E-01 -1.113474942063E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.154975666482E-01 7.257057121947E-01 0.000000000000E+00 -4.237189186166E-01 7.551230157904E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.482534928093E-02 -1.049284271324E+00 0.000000000000E+00 5.904816649578E-01 -1.109235237075E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.956331195626E-01 7.165719190980E-01 0.000000000000E+00 -4.311365099944E-01 7.498585174381E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.933012733550E-03 -1.027313812610E+00 0.000000000000E+00 6.087799721247E-01 -1.105168755382E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.759462660399E-01 7.074060105366E-01 0.000000000000E+00 -4.383113976262E-01 7.445816082547E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.172489144886E-02 -1.005670264300E+00 0.000000000000E+00 6.261352846701E-01 -1.101214630717E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.564529345965E-01 6.982138609853E-01 0.000000000000E+00 -4.452384806886E-01 7.392885950751E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.817238187977E-02 -9.843585101599E-01 0.000000000000E+00 6.425527642162E-01 -1.097318462305E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.371682130243E-01 6.890011818415E-01 0.000000000000E+00 -4.519131970657E-01 7.339759934953E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.343485068088E-02 -9.633825573114E-01 0.000000000000E+00 6.580402381016E-01 -1.093431870339E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.181063616195E-01 6.797735210487E-01 0.000000000000E+00 -4.583315130447E-01 7.286405402233E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.753883926090E-02 -9.427455983276E-01 0.000000000000E+00 6.726079059116E-01 -1.089512067149E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.992808274735E-01 6.705362630345E-01 0.000000000000E+00 -4.644899118830E-01 7.232792026581E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.205118341059E-01 -9.224500698827E-01 0.000000000000E+00 6.862680670345E-01 -1.085521445624E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.807042596962E-01 6.612946289396E-01 0.000000000000E+00 -4.703853813938E-01 7.178891859671E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.423820816610E-01 -9.024977080492E-01 0.000000000000E+00 6.990348685407E-01 -1.081427185982E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.623885254543E-01 6.520536771163E-01 0.000000000000E+00 -4.760154006814E-01 7.124679379106E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.631784213417E-01 -8.828896003670E-01 0.000000000000E+00 7.109240726032E-01 -1.077200881647E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.443447267134E-01 6.428183038749E-01 0.000000000000E+00 -4.813779261513E-01 7.070131516491E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.829301356079E-01 -8.636262348238E-01 0.000000000000E+00 7.219528426221E-01 -1.072818184692E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.265832175795E-01 6.335932444589E-01 0.000000000000E+00 -4.864713769088E-01 7.015227667488E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.016668158977E-01 -8.447075458982E-01 0.000000000000E+00 7.321395471462E-01 -1.068258470993E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.091136221460E-01 6.243830742300E-01 0.000000000000E+00 -4.912946196503E-01 6.959949685881E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.194182430916E-01 -8.261329578238E-01 0.000000000000E+00 7.415035805920E-01 -1.063504524994E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.194485275632E-02 6.151922100453E-01 0.000000000000E+00 -4.958469531435E-01 6.904281863484E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.362142810798E-01 -8.079014252334E-01 0.000000000000E+00 7.500651996484E-01 -1.058542243773E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.508512860091E-02 6.060249118097E-01 0.000000000000E+00 -5.001280923867E-01 6.848210897632E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.520847820146E-01 -7.900114713401E-01 0.000000000000E+00 7.578453742353E-01 -1.053360359885E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.854199457404E-02 5.968852841883E-01 0.000000000000E+00 -5.041381525265E-01 6.791725847808E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.670595019187E-01 -7.724612238067E-01 0.000000000000E+00 7.648656518972E-01 -1.047950182358E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.232234032053E-02 5.877772784628E-01 0.000000000000E+00 -5.078776326097E-01 6.734818082868E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.811680253798E-01 -7.552484484470E-01 0.000000000000E+00 7.711480345158E-01 -1.042305355077E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.643241941012E-02 5.787046945199E-01 0.000000000000E+00 -5.113473992366E-01 6.677481220168E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.944396981902E-01 -7.383705808938E-01 0.000000000000E+00 7.767148662736E-01 -1.036421631741E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.087786858153E-02 5.696711829558E-01 0.000000000000E+00 -5.145486701779E-01 6.619711057816E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.069035669714E-01 -7.218247563593E-01 0.000000000000E+00 7.815887318879E-01 -1.030296666547E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.336272995751E-03 5.606802472866E-01 0.000000000000E+00 -5.174829980126E-01 6.561505501148E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.185883249721E-01 -7.056078376028E-01 0.000000000000E+00 7.857923642184E-01 -1.023929819732E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.920554448951E-02 5.517352462527E-01 0.000000000000E+00 -5.201522538357E-01 6.502864484412E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.295222633912E-01 -6.897164412109E-01 0.000000000000E+00 7.893485604486E-01 -1.017321977138E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.372604424520E-02 5.428393962050E-01 0.000000000000E+00 -5.225586110847E-01 6.443789888590E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.397332277172E-01 -6.741469622881E-01 0.000000000000E+00 7.922801061383E-01 -1.010475382984E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.789441073711E-02 5.339957735641E-01 0.000000000000E+00 -5.247045295245E-01 6.384285456158E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.492485786927E-01 -6.588955976444E-01 0.000000000000E+00 7.946097065293E-01 -1.003393485057E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.170780366476E-02 5.252073173426E-01 0.000000000000E+00 -5.265927394288E-01 6.324356703533E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.580951576062E-01 -6.439583675604E-01 0.000000000000E+00 7.963599245687E-01 -9.960807916077E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.516388522492E-02 5.164768317215E-01 0.000000000000E+00 -5.282262259915E-01 6.264010831872E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.662992556801E-01 -6.293311362028E-01 0.000000000000E+00 7.975531251755E-01 -9.885427392333E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.826080158657E-02 5.078069886726E-01 0.000000000000E+00 -5.296082139971E-01 6.203256636812E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.881359095311E-03 -1.062043604050E-03 0.000000000000E+00 6.485403336613E-03 -3.915329329160E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.351621165214E-03 3.720318463247E-04 0.000000000000E+00 -2.375076014915E-03 1.202234353790E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.350282174715E-03 -7.517458323177E-04 0.000000000000E+00 4.672180383880E-03 -2.784482294696E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.934421593318E-03 2.438905738470E-04 0.000000000000E+00 -1.610692306170E-03 8.162546755092E-04 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.421435355881E-03 -5.301417995981E-04 0.000000000000E+00 3.345116395363E-03 -1.971250684977E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.957036160313E-03 1.608095288931E-04 0.000000000000E+00 -1.097020681548E-03 5.561602336628E-04 RangeSep CAM 0.300000 0.200000 0.460000 diff --git a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_N-N.skf b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_N-N.skf index 635e4d22..124599e6 100644 --- a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_N-N.skf +++ b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/_N-N.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -2.743523903637E-01 -6.400000000000E-01 -3.101135848175E-02 0.000000000000E+00 4.264775857525E-01 4.264775857525E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 +0.200000 32 + 0.000000000000E+00 -2.743523903716E-01 -6.400000000000E-01 -3.101135848213E-02 0.000000000000E+00 4.264775866790E-01 4.264775866790E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 1.400700000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -30,65 +30,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.842326797470E-01 -1.719751726148E+00 0.000000000000E+00 8.243774817067E-02 -1.482543557811E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.795817906295E-01 8.463800376124E-01 0.000000000000E+00 -2.501072808788E-01 8.394775962845E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.206959646588E-01 -1.685170601004E+00 0.000000000000E+00 1.230219247165E-01 -1.462374441263E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.572942989846E-01 8.374144889884E-01 0.000000000000E+00 -2.599345750475E-01 8.333677677290E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.590457553409E-01 -1.650796369458E+00 0.000000000000E+00 1.630256545142E-01 -1.444536260754E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.349045105012E-01 8.283111137783E-01 0.000000000000E+00 -2.696857066117E-01 8.273044788382E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.993260437490E-01 -1.616668129944E+00 0.000000000000E+00 2.023132210347E-01 -1.428758514650E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.124467077923E-01 8.190798643036E-01 0.000000000000E+00 -2.793433840067E-01 8.212832097452E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.415691681249E-01 -1.582821460665E+00 0.000000000000E+00 2.407655698144E-01 -1.414789430636E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.899539336957E-01 8.097305121573E-01 0.000000000000E+00 -2.888909457103E-01 8.152990117522E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.857968750368E-01 -1.549288609130E+00 0.000000000000E+00 2.782791997079E-01 -1.402395705019E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.674579729169E-01 8.002726383231E-01 0.000000000000E+00 -2.983124049834E-01 8.093466213157E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.320213274401E-01 -1.516098679269E+00 0.000000000000E+00 3.147650682204E-01 -1.391362064578E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.449893395265E-01 7.907156245143E-01 0.000000000000E+00 -3.075924866143E-01 8.034205619881E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.802460565340E-01 -1.483277815047E+00 0.000000000000E+00 3.501475209688E-01 -1.381490691515E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.225772698078E-01 7.810686456526E-01 0.000000000000E+00 -3.167166563524E-01 7.975152350256E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.304668563312E-01 -1.450849379670E+00 0.000000000000E+00 3.843632532063E-01 -1.372600545506E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.002497199783E-01 7.713406634114E-01 0.000000000000E+00 -3.256711436820E-01 7.916249993901E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.826726208531E-01 -1.418834129637E+00 0.000000000000E+00 4.173603094744E-01 -1.364526611336E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.780333683372E-01 7.615404207513E-01 0.000000000000E+00 -3.344429585401E-01 7.857442418758E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.368461246761E-01 -1.387250382977E+00 0.000000000000E+00 4.490971258180E-01 -1.357119095756E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.559536214194E-01 7.516764373810E-01 0.000000000000E+00 -3.430199025511E-01 7.798674380887E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.296474816721E-02 -1.356114181187E+00 0.000000000000E+00 4.795416176096E-01 -1.350242593091E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.340346237605E-01 7.417570060758E-01 0.000000000000E+00 -3.513905753065E-01 7.739892049871E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.100114915638E-02 -1.325439444463E+00 0.000000000000E+00 5.086703148770E-01 -1.343775235582E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.122992709010E-01 7.317901897952E-01 0.000000000000E+00 -3.595443761888E-01 7.681043456740E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.092388301178E-02 -1.295238119927E+00 0.000000000000E+00 5.364675461153E-01 -1.337607841444E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.907692252840E-01 7.217838195385E-01 0.000000000000E+00 -3.674715021987E-01 7.622078871037E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.730202685109E-02 -1.265520322664E+00 0.000000000000E+00 5.629246708607E-01 -1.331643071065E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.694649347191E-01 7.117454928845E-01 0.000000000000E+00 -3.751629422176E-01 7.562951113349E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.371456601839E-02 -1.236294469477E+00 0.000000000000E+00 5.880393607953E-01 -1.325794599659E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.484056531105E-01 7.016825731614E-01 0.000000000000E+00 -3.826104681021E-01 7.503615809305E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.835425171822E-02 -1.207567405345E+00 0.000000000000E+00 6.118149287661E-01 -1.319986312898E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.276094631642E-01 6.916021891979E-01 0.000000000000E+00 -3.898066229821E-01 7.444031590716E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.312636990783E-01 -1.179344522684E+00 0.000000000000E+00 6.342597048148E-01 -1.314151530594E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.070933008113E-01 6.815112356081E-01 0.000000000000E+00 -3.967447071029E-01 7.384160249162E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.624872289524E-01 -1.151629873559E+00 0.000000000000E+00 6.553864580576E-01 -1.308232262233E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.868729811027E-01 6.714163735645E-01 0.000000000000E+00 -4.034187615293E-01 7.323966847014E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.920705151149E-01 -1.124426275079E+00 0.000000000000E+00 6.752118630158E-01 -1.302178497142E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.669632253485E-01 6.613240320193E-01 0.000000000000E+00 -4.098235500031E-01 7.263419790508E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.200602684028E-01 -1.097735408251E+00 0.000000000000E+00 6.937560087477E-01 -1.295947531140E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.473776892914E-01 6.512404093309E-01 0.000000000000E+00 -4.159545392214E-01 7.202490869177E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.465039551179E-01 -1.071557910606E+00 0.000000000000E+00 7.110419488686E-01 -1.289503330732E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.281289921241E-01 6.411714752616E-01 0.000000000000E+00 -4.218078777852E-01 7.141155265597E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.714495467638E-01 -1.045893462922E+00 0.000000000000E+00 7.270952902880E-01 -1.282815935218E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.092287461718E-01 6.311229733086E-01 0.000000000000E+00 -4.273803740434E-01 7.079391539115E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.949452980781E-01 -1.020740870395E+00 0.000000000000E+00 7.419438182983E-01 -1.275860896475E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.068758707847E-02 6.211004233362E-01 0.000000000000E+00 -4.326694730393E-01 7.017181586901E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.170395503435E-01 -9.960981385935E-01 0.000000000000E+00 7.556171555232E-01 -1.268618755718E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.251520435115E-02 6.111091244784E-01 0.000000000000E+00 -4.376732327502E-01 6.954510585404E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.377805570836E-01 -9.719625445068E-01 0.000000000000E+00 7.681464521874E-01 -1.261074556117E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.472037212701E-02 6.011541582821E-01 0.000000000000E+00 -4.423902997918E-01 6.891366914996E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.572163294637E-01 -9.483307030192E-01 0.000000000000E+00 7.795641051936E-01 -1.253217389920E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.731098004369E-02 5.912403920646E-01 0.000000000000E+00 -4.468198847433E-01 6.827742070376E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.753944990213E-01 -9.251986290820E-01 0.000000000000E+00 7.899035035953E-01 -1.245039978489E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.029406410404E-02 5.813724824584E-01 0.000000000000E+00 -4.509617372355E-01 6.763630559005E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.923621957024E-01 -9.025617958594E-01 0.000000000000E+00 7.991987982181E-01 -1.236538283597E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.675837438231E-03 5.715548791216E-01 0.000000000000E+00 -4.548161209298E-01 6.699029789689E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.081659395269E-01 -8.804151890940E-01 0.000000000000E+00 8.074846933724E-01 -1.227711148265E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.253827912297E-02 5.617918285905E-01 0.000000000000E+00 -4.583837885012E-01 6.633939953167E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.228515445256E-01 -8.587533579184E-01 0.000000000000E+00 8.147962588084E-01 -1.218559965457E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.834362674030E-02 5.520873782543E-01 0.000000000000E+00 -4.616659567296E-01 6.568363896396E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.364640338657E-01 -8.375704623211E-01 0.000000000000E+00 8.211687602636E-01 -1.209088372971E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.373627859052E-02 5.424453804331E-01 0.000000000000E+00 -4.646642817885E-01 6.502306992044E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.490475653005E-01 -8.168603174570E-01 0.000000000000E+00 8.266375071396E-01 -1.199301972950E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.871301028198E-02 5.328694965421E-01 0.000000000000E+00 -4.673808348143E-01 6.435777004523E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.606453662442E-01 -7.966164349764E-01 0.000000000000E+00 8.312377160051E-01 -1.189208074492E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.327127071190E-02 5.233632013244E-01 0.000000000000E+00 -4.698180778246E-01 6.368783953767E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.712996778811E-01 -7.768320615354E-01 0.000000000000E+00 8.350043887564E-01 -1.178815457926E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.740915340877E-02 5.139297871398E-01 0.000000000000E+00 -4.719788400486E-01 6.301339977801E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.810517077893E-01 -7.575002146370E-01 0.000000000000E+00 8.379722043772E-01 -1.168134159403E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.011253683966E-01 5.045723682933E-01 0.000000000000E+00 -4.738662947240E-01 6.233459195040E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.899415905966E-01 -7.386137159424E-01 0.000000000000E+00 8.401754233229E-01 -1.157175274483E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.144192146116E-01 4.952938853937E-01 0.000000000000E+00 -4.754839364043E-01 6.165157567109E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.980083561971E-01 -7.201652221854E-01 0.000000000000E+00 8.416478036255E-01 -1.145950779512E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.272905528974E-01 4.860971097279E-01 0.000000000000E+00 -4.768355588183E-01 6.096452762924E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.052899050616E-01 -7.021472538149E-01 0.000000000000E+00 8.424225278666E-01 -1.134473369591E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.397397795972E-01 4.769846476429E-01 0.000000000000E+00 -4.779252333111E-01 6.027364024615E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.118229901660E-01 -6.845522214844E-01 0.000000000000E+00 8.425321402106E-01 -1.122756312037E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.517678007608E-01 4.679589449247E-01 0.000000000000E+00 -4.787572878963E-01 5.957912035838E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.566430266571E-03 -6.922732906887E-04 0.000000000000E+00 4.098204758562E-03 -2.325952101061E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.976437488984E-03 1.613169291980E-04 0.000000000000E+00 -1.023944477374E-03 5.628623123222E-04 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.791806555563E-03 -4.882054793773E-04 0.000000000000E+00 2.937861991800E-03 -1.634543227163E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.272205999872E-03 1.045155053920E-04 0.000000000000E+00 -6.815590296458E-04 3.839720258522E-04 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.481318517546E-03 -3.447558259362E-04 0.000000000000E+00 2.105038968609E-03 -1.147448111055E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.165122750869E-04 6.914308259895E-05 0.000000000000E+00 -4.638992345070E-04 2.648241423258E-04 RangeSep CAM 0.300000 0.200000 0.460000 diff --git a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/skdef.hsd b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/skdef.hsd index efacb31b..29af5921 100644 --- a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/skdef.hsd +++ b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/skdef.hsd @@ -99,10 +99,10 @@ OnecenterParameters { TwoCenterParameters { $EqGrid = EquidistantGrid { - GridStart = 0.6 - GridSeparation = 0.02 + GridStart = 6.0 + GridSeparation = 0.2 Tolerance = 5e-5 - MaxDistance = -1.4 + MaxDistance = -6.5 } $SkTwocnt_300_150 = Sktwocnt { diff --git a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_N-N.skf b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_N-N.skf index fe4bb846..eedb0715 100644 --- a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_N-N.skf +++ b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_N-N.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -2.764708543885E-01 -6.400000000000E-01 -4.023094015600E-02 0.000000000000E+00 4.236038570743E-01 4.236038570743E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 +0.200000 27 + 0.000000000000E+00 -2.764708543960E-01 -6.400000000000E-01 -4.023094015715E-02 0.000000000000E+00 4.236038522262E-01 4.236038522262E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 1.400700000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -25,70 +25,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.281766025414E-01 -1.768863112834E+00 0.000000000000E+00 1.209308102337E-01 -1.647257594987E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.829764501057E-01 8.478328115695E-01 0.000000000000E+00 -2.515297068502E-01 8.396301802266E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.638805832300E-01 -1.734279071033E+00 0.000000000000E+00 1.624155322266E-01 -1.625918791898E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.607807974520E-01 8.389314092925E-01 0.000000000000E+00 -2.613495208313E-01 8.334981737301E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.014131754497E-01 -1.699878725927E+00 0.000000000000E+00 2.033196336207E-01 -1.606912543358E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.384738888927E-01 8.298909021742E-01 0.000000000000E+00 -2.710924683679E-01 8.274113086313E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.408211065685E-01 -1.665701167174E+00 0.000000000000E+00 2.435068888646E-01 -1.589969103974E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.160896860038E-01 8.207210822500E-01 0.000000000000E+00 -2.807415241275E-01 8.213652038327E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.821396563473E-01 -1.631782059352E+00 0.000000000000E+00 2.828575216507E-01 -1.574837174933E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.936609654668E-01 8.114315710517E-01 0.000000000000E+00 -2.902802746503E-01 8.153550482121E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.253936844139E-01 -1.598153829722E+00 0.000000000000E+00 3.212671269636E-01 -1.561283682654E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.712192994060E-01 8.020318098159E-01 0.000000000000E+00 -2.996929622756E-01 8.093757136747E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.705986050007E-01 -1.564845853465E+00 0.000000000000E+00 3.586456066144E-01 -1.549093377788E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.487950413523E-01 7.925310508579E-01 0.000000000000E+00 -3.089645213186E-01 8.034218562796E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.177613074245E-01 -1.531884635064E+00 0.000000000000E+00 3.949161278047E-01 -1.538068294900E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.264173173569E-01 7.829383500352E-01 0.000000000000E+00 -3.180806071605E-01 7.974880061396E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.668810220299E-01 -1.499293984644E+00 0.000000000000E+00 4.300141119836E-01 -1.528027106633E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.041140218106E-01 7.732625602308E-01 0.000000000000E+00 -3.270276188827E-01 7.915686468079E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.179501322605E-01 -1.467095188188E+00 0.000000000000E+00 4.638862592735E-01 -1.518804400440E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.819118175481E-01 7.635123257863E-01 0.000000000000E+00 -3.357927160290E-01 7.856582848776E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.709549340753E-01 -1.435307170685E+00 0.000000000000E+00 4.964896121060E-01 -1.510249901118E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.598361398417E-01 7.536960778236E-01 0.000000000000E+00 -3.443638300470E-01 7.797515105115E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.258763440587E-01 -1.403946651424E+00 0.000000000000E+00 5.277906604789E-01 -1.502227658222E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.379112039133E-01 7.438220303914E-01 0.000000000000E+00 -3.527296709218E-01 7.738430496053E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.269055732289E-02 -1.373028290879E+00 0.000000000000E+00 5.577644904637E-01 -1.494615214036E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.161600156152E-01 7.338981773795E-01 0.000000000000E+00 -3.608797294787E-01 7.679278082700E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.136965582067E-02 -1.342564828891E+00 0.000000000000E+00 5.863939772217E-01 -1.487302765029E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.946043849507E-01 7.239322901458E-01 0.000000000000E+00 -3.688042758016E-01 7.620009102900E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.882167210126E-03 -1.312567214215E+00 0.000000000000E+00 6.136690237305E-01 -1.480192327595E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.732649421289E-01 7.139319158037E-01 0.000000000000E+00 -3.764943541801E-01 7.560577281867E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.580642578363E-02 -1.283044725862E+00 0.000000000000E+00 6.395858464698E-01 -1.473196917239E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.521611558626E-01 7.039043761199E-01 0.000000000000E+00 -3.839417749687E-01 7.500939084833E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.173322526264E-02 -1.254005086938E+00 0.000000000000E+00 6.641463092410E-01 -1.466239748969E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.313113536438E-01 6.938567669755E-01 0.000000000000E+00 -3.911391037159E-01 7.441053917348E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.059375062120E-01 -1.225454571907E+00 0.000000000000E+00 6.873573059117E-01 -1.459253465344E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.107327437436E-01 6.837959583467E-01 0.000000000000E+00 -3.980796478903E-01 7.380884278523E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.384603503739E-01 -1.197398108190E+00 0.000000000000E+00 7.092301921029E-01 -1.452179397337E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.904414387035E-01 6.737285947614E-01 0.000000000000E+00 -4.047574415108E-01 7.320395872147E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.693443222509E-01 -1.169839372882E+00 0.000000000000E+00 7.297802647787E-01 -1.444966861636E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.704524801032E-01 6.636610961931E-01 0.000000000000E+00 -4.111672279604E-01 7.259557680300E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.986331824541E-01 -1.142780885124E+00 0.000000000000E+00 7.490262875552E-01 -1.437572496563E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.507798644024E-01 6.535996593541E-01 0.000000000000E+00 -4.173044412436E-01 7.198342003704E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.263716330067E-01 -1.116224094412E+00 0.000000000000E+00 7.669900585561E-01 -1.429959637362E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.314365696744E-01 6.435502593517E-01 0.000000000000E+00 -4.231651859245E-01 7.136724472773E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.526050892063E-01 -1.090169464889E+00 0.000000000000E+00 7.836960169956E-01 -1.422097730430E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.124345830599E-01 6.335186516755E-01 0.000000000000E+00 -4.287462159661E-01 7.074684032970E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.773794731519E-01 -1.064616555582E+00 0.000000000000E+00 7.991708844286E-01 -1.413961785230E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.378492878682E-02 6.235103744822E-01 0.000000000000E+00 -4.340449126689E-01 7.012202907805E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.007410249037E-01 -1.039564096455E+00 0.000000000000E+00 8.134433367508E-01 -1.405531862107E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.549769661358E-02 6.135307511505E-01 0.000000000000E+00 -4.390592618933E-01 6.949266542513E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.227361282647E-01 -1.015010060240E+00 0.000000000000E+00 8.265437034480E-01 -1.396792593971E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.758207056693E-02 6.035848930770E-01 0.000000000000E+00 -4.437878307320E-01 6.885863531166E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.434111491859E-01 -9.909517300303E-01 0.000000000000E+00 8.385036911686E-01 -1.387732739904E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.004635785791E-02 5.936777026868E-01 0.000000000000E+00 -4.482297437828E-01 6.821985529764E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.628122856718E-01 -9.673857627091E-01 0.000000000000E+00 8.493561293050E-01 -1.378344768774E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.289801787021E-02 5.838138766366E-01 0.000000000000E+00 -4.523846591613E-01 6.757627157541E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.809854287434E-01 -9.443082483539E-01 0.000000000000E+00 8.591347358385E-01 -1.368624471287E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.143691126645E-03 5.739979091850E-01 0.000000000000E+00 -4.562527443749E-01 6.692785888574E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.979760344607E-01 -9.217147657791E-01 0.000000000000E+00 8.678739021632E-01 -1.358570599013E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.021077185061E-02 5.642340957105E-01 0.000000000000E+00 -4.598346521705E-01 6.627461935523E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.138290072307E-01 -8.996004344211E-01 0.000000000000E+00 8.756084959420E-01 -1.348184529163E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.616028186099E-02 5.545265363582E-01 0.000000000000E+00 -4.631314964560E-01 6.561658127162E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.285885946728E-01 -8.779599627577E-01 0.000000000000E+00 8.823736812581E-01 -1.337469954040E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.170048259363E-02 5.448791397944E-01 0.000000000000E+00 -4.661448283832E-01 6.495379781179E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.422982942112E-01 -8.567876934631E-01 0.000000000000E+00 8.882047554211E-01 -1.326432594117E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.682772250076E-02 5.352956270554E-01 0.000000000000E+00 -4.688766126726E-01 6.428634573567E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.550007713849E-01 -8.360776454827E-01 0.000000000000E+00 8.931370017964E-01 -1.315079933758E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.153902702659E-02 5.257795354730E-01 0.000000000000E+00 -4.713292042480E-01 6.361432405760E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.667377896475E-01 -8.158235532005E-01 0.000000000000E+00 8.972055579854E-01 -1.303420978584E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.583207123543E-02 5.163342226626E-01 0.000000000000E+00 -4.735053252423E-01 6.293785270556E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.775501512194E-01 -7.960189028627E-01 0.000000000000E+00 9.004452986104E-01 -1.291466033460E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.970515287605E-02 5.069628705612E-01 0.000000000000E+00 -4.754080424280E-01 6.225707117724E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.874776483757E-01 -7.766569664093E-01 0.000000000000E+00 9.028907318823E-01 -1.279226500002E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.131571659139E-01 4.976684895029E-01 0.000000000000E+00 -4.770407451169E-01 6.157213720093E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.965590244234E-01 -7.577308328567E-01 0.000000000000E+00 9.045759090690E-01 -1.266714692506E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.261875745571E-01 4.884539223209E-01 0.000000000000E+00 -4.784071235685E-01 6.088322540802E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.048319435446E-01 -7.392334373654E-01 0.000000000000E+00 9.055343459383E-01 -1.253943671186E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.387963877986E-01 4.793218484655E-01 0.000000000000E+00 -4.795111479391E-01 6.019052602317E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.123329686522E-01 -7.211575881225E-01 0.000000000000E+00 9.057989552369E-01 -1.240927091554E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.509841344901E-01 4.702747881293E-01 0.000000000000E+00 -4.803570478000E-01 5.949424357715E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.211134171446E-02 -4.517884144542E-03 0.000000000000E+00 2.337328490958E-02 -1.497648263354E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.438756138845E-02 1.481745031435E-03 0.000000000000E+00 -7.765455257780E-03 4.075129035935E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.453754846831E-02 -3.260005767011E-03 0.000000000000E+00 1.729369618017E-02 -1.077409809886E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.985419172487E-03 9.605862020149E-04 0.000000000000E+00 -5.241347147618E-03 2.719352624675E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.859791194324E-02 -2.344682351410E-03 0.000000000000E+00 1.271934568153E-02 -7.715683439447E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.824557748729E-03 6.170291848296E-04 0.000000000000E+00 -3.495459801593E-03 1.807210865114E-03 RangeSep CAM 0.330000 0.250000 0.750000 diff --git a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_N-O.skf b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_N-O.skf index 6252f741..04609d79 100644 --- a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_N-O.skf +++ b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_N-O.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 27 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -24,70 +24,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.953482761237E-01 -1.951273139717E+00 0.000000000000E+00 2.864223042693E-02 -1.793547483813E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.487667887207E-01 8.305641771395E-01 0.000000000000E+00 -2.236999828336E-01 8.261409969749E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.219817396503E-01 -1.909601651176E+00 0.000000000000E+00 7.967222434400E-02 -1.775067005910E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.257132108166E-01 8.211022802925E-01 0.000000000000E+00 -2.335516407034E-01 8.201194415646E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.511161651776E-01 -1.868282676517E+00 0.000000000000E+00 1.297658540663E-01 -1.758773961355E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.026136604138E-01 8.115105134057E-01 0.000000000000E+00 -2.433444487074E-01 8.141339963661E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.827801894478E-01 -1.827359972333E+00 0.000000000000E+00 1.787586390590E-01 -1.744354011523E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.795042052467E-01 8.017998401745E-01 0.000000000000E+00 -2.530575944663E-01 8.081779622337E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.169889435487E-01 -1.786872797986E+00 0.000000000000E+00 2.265091467829E-01 -1.731519456162E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.564193433868E-01 7.919809721981E-01 0.000000000000E+00 -2.626711371809E-01 8.022444365039E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.537455096755E-01 -1.746856208722E+00 0.000000000000E+00 2.728972027903E-01 -1.720008238289E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.333919995109E-01 7.820643600758E-01 0.000000000000E+00 -2.721660553712E-01 7.963264310223E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.930422797586E-01 -1.707341337802E+00 0.000000000000E+00 3.178221560780E-01 -1.709582792935E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.104535276806E-01 7.720601859759E-01 0.000000000000E+00 -2.815242841164E-01 7.904169748628E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.348622174472E-01 -1.668355665960E+00 0.000000000000E+00 3.612012102979E-01 -1.700028787737E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.876337199523E-01 7.619783575654E-01 0.000000000000E+00 -2.907287427971E-01 7.845092029097E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.791800252231E-01 -1.629923276981E+00 0.000000000000E+00 4.029678285349E-01 -1.691153794442E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.649608201825E-01 7.518285031937E-01 0.000000000000E+00 -2.997633542758E-01 7.785964314510E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.259632182173E-01 -1.592065098631E+00 0.000000000000E+00 4.430702173800E-01 -1.682785923149E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.424615424389E-01 7.416199682320E-01 0.000000000000E+00 -3.086130563910E-01 7.726722219069E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.517310598804E-02 -1.554799128819E+00 0.000000000000E+00 4.814698947597E-01 -1.674772445302E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.201610934672E-01 7.313618124740E-01 0.000000000000E+00 -3.172638065818E-01 7.667304337678E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.676568356062E-02 -1.518140647470E+00 0.000000000000E+00 5.181403451298E-01 -1.666978426819E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.980831987055E-01 7.210628085087E-01 0.000000000000E+00 -3.257025804022E-01 7.607652677735E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.930756623704E-02 -1.482102415117E+00 0.000000000000E+00 5.530657647628E-01 -1.659285388908E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.762501313736E-01 7.107314409833E-01 0.000000000000E+00 -3.339173646288E-01 7.547713003056E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.309895561179E-02 -1.446694859582E+00 0.000000000000E+00 5.862398986298E-01 -1.651590010734E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.546827442012E-01 7.003759066760E-01 0.000000000000E+00 -3.418971456143E-01 7.487435099102E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.046639543075E-01 -1.411926252114E+00 0.000000000000E+00 6.176649686531E-01 -1.643802884860E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.334005033915E-01 6.900041153068E-01 0.000000000000E+00 -3.496318934894E-01 7.426772968082E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.440606243302E-01 -1.377802874191E+00 0.000000000000E+00 6.473506910680E-01 -1.635847333140E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.124215244520E-01 6.796236910163E-01 0.000000000000E+00 -3.571125427672E-01 7.365684961897E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.813491181069E-01 -1.344329175792E+00 0.000000000000E+00 6.753133786147E-01 -1.627658287740E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.917626095507E-01 6.692419744474E-01 0.000000000000E+00 -3.643309698605E-01 7.304133860308E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.165912308589E-01 -1.311507925578E+00 0.000000000000E+00 7.015751216962E-01 -1.619181239227E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.714392860882E-01 6.588660253697E-01 0.000000000000E+00 -3.712799679788E-01 7.242086901130E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.498499985063E-01 -1.279340353153E+00 0.000000000000E+00 7.261630417437E-01 -1.610371251503E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.514658462033E-01 6.485026257895E-01 0.000000000000E+00 -3.779532198319E-01 7.179515768694E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.811893336713E-01 -1.247826283407E+00 0.000000000000E+00 7.491086098434E-01 -1.601192041901E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.318553869551E-01 6.381582834929E-01 0.000000000000E+00 -3.843452685304E-01 7.116396546272E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.106736940238E-01 -1.216964262952E+00 0.000000000000E+00 7.704470241429E-01 -1.591615123833E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.126198509492E-01 6.278392359719E-01 0.000000000000E+00 -3.904514870346E-01 7.052709637669E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.383677789356E-01 -1.186751678709E+00 0.000000000000E+00 7.902166403937E-01 -1.581619009033E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.377006720136E-02 6.175514546874E-01 0.000000000000E+00 -3.962680464731E-01 6.988439662679E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.643362519318E-01 -1.157184868831E+00 0.000000000000E+00 8.084584509878E-01 -1.571188466434E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.531579205058E-02 6.073006496281E-01 0.000000000000E+00 -4.017918836193E-01 6.923575330660E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.886434876042E-01 -1.128259226190E+00 0.000000000000E+00 8.252156088245E-01 -1.560313834854E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.726574995705E-02 5.970922741231E-01 0.000000000000E+00 -4.070206677847E-01 6.858109296062E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.113533423874E-01 -1.099969294787E+00 0.000000000000E+00 8.405329931300E-01 -1.548990386961E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.962767403785E-02 5.869315298741E-01 0.000000000000E+00 -4.119527673601E-01 6.792037999323E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.325289489546E-01 -1.072308859412E+00 0.000000000000E+00 8.544568149396E-01 -1.537217742146E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.240834621240E-02 5.768233721714E-01 0.000000000000E+00 -4.165872162133E-01 6.725361496205E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.522325339941E-01 -1.045271028951E+00 0.000000000000E+00 8.670342602521E-01 -1.524999326135E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.613636845654E-03 5.667725152644E-01 0.000000000000E+00 -4.209236801227E-01 6.658083278292E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.705252589257E-01 -1.018848313691E+00 0.000000000000E+00 8.783131689935E-01 -1.512341875183E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.075145620734E-02 5.567834378565E-01 0.000000000000E+00 -4.249624234108E-01 6.590210087056E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.874670827942E-01 -9.930326969702E-01 0.000000000000E+00 8.883417479072E-01 -1.499254982722E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.668276923769E-02 5.468603886997E-01 0.000000000000E+00 -4.287042759161E-01 6.521751723620E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.031166462427E-01 -9.678157015280E-01 0.000000000000E+00 8.971683153769E-01 -1.485750686252E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.217693506902E-02 5.370073922631E-01 0.000000000000E+00 -4.321506004267E-01 6.452720856065E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.175311751873E-01 -9.431884508422E-01 0.000000000000E+00 9.048410760895E-01 -1.471843092215E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.723134625139E-02 5.272282544561E-01 0.000000000000E+00 -4.353032606803E-01 6.383132825929E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.307664026248E-01 -9.191417257676E-01 0.000000000000E+00 9.114079233562E-01 -1.457548036521E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.184411910933E-02 5.175265683843E-01 0.000000000000E+00 -4.381645900208E-01 6.313005455287E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.428765069119E-01 -8.956660167494E-01 0.000000000000E+00 9.169162668854E-01 -1.442882778387E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.601405868110E-02 5.079057201212E-01 0.000000000000E+00 -4.407373607869E-01 6.242358855621E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.539140648460E-01 -8.727515718806E-01 0.000000000000E+00 9.214128838236E-01 -1.427865725121E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.974062457720E-02 4.983688944795E-01 0.000000000000E+00 -4.430247544943E-01 6.171215239532E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.639300179398E-01 -8.503884410570E-01 0.000000000000E+00 9.249437909559E-01 -1.412516185559E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.130238977788E-01 4.889190807678E-01 0.000000000000E+00 -4.450303328649E-01 6.099598736160E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.729736503797E-01 -8.285665164713E-01 0.000000000000E+00 9.275541360670E-01 -1.396854149928E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.258645483895E-01 4.795590785187E-01 0.000000000000E+00 -4.467580097418E-01 6.027535211042E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.810925772790E-01 -8.072755696778E-01 0.000000000000E+00 9.292881065919E-01 -1.380900093984E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.382638043474E-01 4.702915031783E-01 0.000000000000E+00 -4.482120239215E-01 5.955052091023E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.883327419686E-01 -7.865052854465E-01 0.000000000000E+00 9.301888538286E-01 -1.364674805417E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.502234211007E-01 4.611187917456E-01 0.000000000000E+00 -4.493969129279E-01 5.882178194712E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.947384211869E-01 -7.662452926171E-01 0.000000000000E+00 9.302984311206E-01 -1.348199230603E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.617456522429E-01 4.520432083528E-01 0.000000000000E+00 -4.503174877419E-01 5.808943568876E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.003522371492E-01 -7.464851921517E-01 0.000000000000E+00 9.296577445550E-01 -1.331494339924E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.728332211013E-01 4.430668497798E-01 0.000000000000E+00 -4.509788084958E-01 5.735379331074E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.830267821435E-02 -3.852111031682E-03 0.000000000000E+00 1.994276605441E-02 -1.154862390027E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.218776949608E-02 1.245968072075E-03 0.000000000000E+00 -6.536310657171E-03 3.143493948449E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.141565126523E-02 -2.752943587080E-03 0.000000000000E+00 1.461077069640E-02 -8.191717401446E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.403878190265E-03 8.060249812696E-04 0.000000000000E+00 -4.399460462014E-03 2.091855110784E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.607492650142E-02 -1.960723907586E-03 0.000000000000E+00 1.063773541145E-02 -5.788952715267E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.702767879387E-03 5.178231341690E-04 0.000000000000E+00 -2.931079049280E-03 1.390563735518E-03 RangeSep CAM 0.330000 0.250000 0.750000 diff --git a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_O-N.skf b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_O-N.skf index d199b027..e91d97db 100644 --- a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_O-N.skf +++ b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_O-N.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 27 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -24,70 +24,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.953482761237E-01 -1.951273139717E+00 0.000000000000E+00 4.767083066146E-01 -1.793547483813E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.487667887207E-01 8.305641771395E-01 0.000000000000E+00 -3.164206786165E-01 8.261409969749E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.219817396503E-01 -1.909601651176E+00 0.000000000000E+00 5.231466451123E-01 -1.775067005910E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.257132108166E-01 8.211022802925E-01 0.000000000000E+00 -3.270570501738E-01 8.201194415646E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.511161651776E-01 -1.868282676517E+00 0.000000000000E+00 5.682105991021E-01 -1.758773961355E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.026136604138E-01 8.115105134057E-01 0.000000000000E+00 -3.375021921083E-01 8.141339963661E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.827801894478E-01 -1.827359972333E+00 0.000000000000E+00 6.117893798873E-01 -1.744354011523E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.795042052467E-01 8.017998401745E-01 0.000000000000E+00 -3.477397406600E-01 8.081779622337E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.169889435487E-01 -1.786872797986E+00 0.000000000000E+00 6.537911544753E-01 -1.731519456162E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.564193433868E-01 7.919809721981E-01 0.000000000000E+00 -3.577542918089E-01 8.022444365039E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.537455096755E-01 -1.746856208722E+00 0.000000000000E+00 6.941414335799E-01 -1.720008238289E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.333919995109E-01 7.820643600758E-01 0.000000000000E+00 -3.675314237111E-01 7.963264310223E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.930422797586E-01 -1.707341337802E+00 0.000000000000E+00 7.327815268776E-01 -1.709582792935E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.104535276806E-01 7.720601859759E-01 0.000000000000E+00 -3.770577109155E-01 7.904169748628E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.348622174472E-01 -1.668355665960E+00 0.000000000000E+00 7.696670716647E-01 -1.700028787737E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.876337199523E-01 7.619783575654E-01 0.000000000000E+00 -3.863207312627E-01 7.845092029097E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.791800252231E-01 -1.629923276981E+00 0.000000000000E+00 8.047666389105E-01 -1.691153794442E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.649608201825E-01 7.518285031937E-01 0.000000000000E+00 -3.953090662928E-01 7.785964314510E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.259632182173E-01 -1.592065098631E+00 0.000000000000E+00 8.380604193724E-01 -1.682785923149E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.424615424389E-01 7.416199682320E-01 0.000000000000E+00 -4.040122959244E-01 7.726722219069E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.517310598804E-02 -1.554799128819E+00 0.000000000000E+00 8.695389917420E-01 -1.674772445302E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.201610934672E-01 7.313618124740E-01 0.000000000000E+00 -4.124209881017E-01 7.667304337678E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.676568356062E-02 -1.518140647470E+00 0.000000000000E+00 8.992021743985E-01 -1.666978426819E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.980831987055E-01 7.210628085087E-01 0.000000000000E+00 -4.205266840496E-01 7.607652677735E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.930756623704E-02 -1.482102415117E+00 0.000000000000E+00 9.270579618568E-01 -1.659285388908E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.762501313736E-01 7.107314409833E-01 0.000000000000E+00 -4.283218797197E-01 7.547713003056E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.309895561179E-02 -1.446694859582E+00 0.000000000000E+00 9.531215461017E-01 -1.651590010734E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.546827442012E-01 7.003759066760E-01 0.000000000000E+00 -4.358000039602E-01 7.487435099102E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.046639543075E-01 -1.411926252114E+00 0.000000000000E+00 9.774144215904E-01 -1.643802884860E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.334005033915E-01 6.900041153068E-01 0.000000000000E+00 -4.429553938948E-01 7.426772968082E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.440606243302E-01 -1.377802874191E+00 0.000000000000E+00 9.999635709590E-01 -1.635847333140E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.124215244520E-01 6.796236910163E-01 0.000000000000E+00 -4.497832679522E-01 7.365684961897E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.813491181069E-01 -1.344329175792E+00 0.000000000000E+00 1.020800726742E+00 -1.627658287740E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.917626095507E-01 6.692419744474E-01 0.000000000000E+00 -4.562796969463E-01 7.304133860308E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.165912308589E-01 -1.311507925578E+00 0.000000000000E+00 1.039961703086E+00 -1.619181239227E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.714392860882E-01 6.588660253697E-01 0.000000000000E+00 -4.624415735707E-01 7.242086901130E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.498499985063E-01 -1.279340353153E+00 0.000000000000E+00 1.057485790734E+00 -1.610371251503E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.514658462033E-01 6.485026257895E-01 0.000000000000E+00 -4.682665806357E-01 7.179515768694E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.811893336713E-01 -1.247826283407E+00 0.000000000000E+00 1.073415208543E+00 -1.601192041901E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.318553869551E-01 6.381582834929E-01 0.000000000000E+00 -4.737531583441E-01 7.116396546272E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.106736940238E-01 -1.216964262952E+00 0.000000000000E+00 1.087794605314E+00 -1.591615123833E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.126198509492E-01 6.278392359719E-01 0.000000000000E+00 -4.789004708733E-01 7.052709637669E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.383677789356E-01 -1.186751678709E+00 0.000000000000E+00 1.100670606561E+00 -1.581619009033E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.377006720136E-02 6.175514546874E-01 0.000000000000E+00 -4.837083725030E-01 6.988439662679E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.643362519318E-01 -1.157184868831E+00 0.000000000000E+00 1.112091401880E+00 -1.571188466434E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.531579205058E-02 6.073006496281E-01 0.000000000000E+00 -4.881773735014E-01 6.923575330660E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.886434876042E-01 -1.128259226190E+00 0.000000000000E+00 1.122106369438E+00 -1.560313834854E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.726574995705E-02 5.970922741231E-01 0.000000000000E+00 -4.923086059639E-01 6.858109296062E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.113533423874E-01 -1.099969294787E+00 0.000000000000E+00 1.130765734966E+00 -1.548990386961E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.962767403785E-02 5.869315298741E-01 0.000000000000E+00 -4.961037897709E-01 6.792037999323E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.325289489546E-01 -1.072308859412E+00 0.000000000000E+00 1.138120263127E+00 -1.537217742146E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.240834621240E-02 5.768233721714E-01 0.000000000000E+00 -4.995651988169E-01 6.725361496205E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.522325339941E-01 -1.045271028951E+00 0.000000000000E+00 1.144220979532E+00 -1.524999326135E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.613636845654E-03 5.667725152644E-01 0.000000000000E+00 -5.026956276405E-01 6.658083278292E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.705252589257E-01 -1.018848313691E+00 0.000000000000E+00 1.149118921814E+00 -1.512341875183E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.075145620734E-02 5.567834378565E-01 0.000000000000E+00 -5.054983585721E-01 6.590210087056E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.874670827942E-01 -9.930326969702E-01 0.000000000000E+00 1.152864918233E+00 -1.499254982722E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.668276923769E-02 5.468603886997E-01 0.000000000000E+00 -5.079771294976E-01 6.521751723620E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.031166462427E-01 -9.678157015280E-01 0.000000000000E+00 1.155509392209E+00 -1.485750686252E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.217693506902E-02 5.370073922631E-01 0.000000000000E+00 -5.101361023236E-01 6.452720856065E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.175311751873E-01 -9.431884508422E-01 0.000000000000E+00 1.157102191160E+00 -1.471843092215E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.723134625139E-02 5.272282544561E-01 0.000000000000E+00 -5.119798322173E-01 6.383132825929E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.307664026248E-01 -9.191417257676E-01 0.000000000000E+00 1.157692437918E+00 -1.457548036521E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.184411910933E-02 5.175265683843E-01 0.000000000000E+00 -5.135132376813E-01 6.313005455287E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.428765069119E-01 -8.956660167494E-01 0.000000000000E+00 1.157328402998E+00 -1.442882778387E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.601405868110E-02 5.079057201212E-01 0.000000000000E+00 -5.147415715129E-01 6.242358855621E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.539140648460E-01 -8.727515718806E-01 0.000000000000E+00 1.156057395967E+00 -1.427865725121E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.974062457720E-02 4.983688944795E-01 0.000000000000E+00 -5.156703926886E-01 6.171215239532E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.639300179398E-01 -8.503884410570E-01 0.000000000000E+00 1.153925674236E+00 -1.412516185559E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.130238977788E-01 4.889190807678E-01 0.000000000000E+00 -5.163055392056E-01 6.099598736160E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.729736503797E-01 -8.285665164713E-01 0.000000000000E+00 1.150978367618E+00 -1.396854149928E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.258645483895E-01 4.795590785187E-01 0.000000000000E+00 -5.166531019023E-01 6.027535211042E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.810925772790E-01 -8.072755696778E-01 0.000000000000E+00 1.147259417132E+00 -1.380900093984E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.382638043474E-01 4.702915031783E-01 0.000000000000E+00 -5.167193992747E-01 5.955052091023E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.883327419686E-01 -7.865052854465E-01 0.000000000000E+00 1.142811526578E+00 -1.364674805417E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.502234211007E-01 4.611187917456E-01 0.000000000000E+00 -5.165109532990E-01 5.882178194712E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.947384211869E-01 -7.662452926171E-01 0.000000000000E+00 1.137676125568E+00 -1.348199230603E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.617456522429E-01 4.520432083528E-01 0.000000000000E+00 -5.160344662629E-01 5.808943568876E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.003522371492E-01 -7.464851921517E-01 0.000000000000E+00 1.131893342745E+00 -1.331494339924E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.728332211013E-01 4.430668497798E-01 0.000000000000E+00 -5.152967986050E-01 5.735379331074E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.830267821435E-02 -3.852111031682E-03 0.000000000000E+00 1.888103217984E-02 -1.154862390027E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.218776949608E-02 1.245968072075E-03 0.000000000000E+00 -6.051129984505E-03 3.143493948449E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.141565126523E-02 -2.752943587080E-03 0.000000000000E+00 1.375747782087E-02 -8.191717401446E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.403878190265E-03 8.060249812696E-04 0.000000000000E+00 -4.054996491559E-03 2.091855110784E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.607492650142E-02 -1.960723907586E-03 0.000000000000E+00 9.976489447520E-03 -5.788952715267E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.702767879387E-03 5.178231341690E-04 0.000000000000E+00 -2.692665044911E-03 1.390563735518E-03 RangeSep CAM 0.330000 0.250000 0.750000 diff --git a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_O-O.skf b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_O-O.skf index 4d09f182..15e8ca4b 100644 --- a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_O-O.skf +++ b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/_O-O.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -4.002097792612E-01 -1.101094064419E+00 0.000000000000E+00 0.000000000000E+00 4.985764178731E-01 4.985764178731E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 +0.200000 27 + 0.000000000000E+00 -4.002097792824E-01 -1.101094064433E+00 0.000000000000E+00 0.000000000000E+00 4.985764180407E-01 4.985764180407E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 1.601000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -25,70 +25,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.303763420037E-01 -2.151852698735E+00 0.000000000000E+00 4.179558295900E-01 -1.995791303941E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.154971365514E-01 8.189307909566E-01 0.000000000000E+00 -2.930925762664E-01 8.264714405676E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.470444978511E-01 -2.101450639884E+00 0.000000000000E+00 4.740599809082E-01 -1.978245389345E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.913527640916E-01 8.087531423318E-01 0.000000000000E+00 -3.037660704388E-01 8.201650108152E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.671034705388E-01 -2.051648225550E+00 0.000000000000E+00 5.282550429713E-01 -1.962692216248E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.672433661212E-01 7.984575293142E-01 0.000000000000E+00 -3.142526648732E-01 8.138824435241E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.905496545516E-01 -2.002493222274E+00 0.000000000000E+00 5.804137061274E-01 -1.948775496499E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.432071804499E-01 7.880563203484E-01 0.000000000000E+00 -3.245325874781E-01 8.076152965975E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.173638308397E-01 -1.954027498112E+00 0.000000000000E+00 6.304346607944E-01 -1.936175071369E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.192803876518E-01 7.775615231142E-01 0.000000000000E+00 -3.345873555604E-01 8.013551808683E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.475132034341E-01 -1.906287461665E+00 0.000000000000E+00 6.782400607614E-01 -1.924604857263E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.954971319552E-01 7.669847775663E-01 0.000000000000E+00 -3.443997941220E-01 7.950938779294E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.809532645604E-01 -1.859304475996E+00 0.000000000000E+00 7.237731242059E-01 -1.913810688120E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.718895494778E-01 7.563373508185E-01 0.000000000000E+00 -3.539540433008E-01 7.888234391136E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.176294911101E-01 -1.813105246721E+00 0.000000000000E+00 7.669958801251E-01 -1.903568110428E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.484878028467E-01 7.456301337085E-01 0.000000000000E+00 -3.632355562622E-01 7.825362673863E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.747887568315E-02 -1.767712184839E+00 0.000000000000E+00 8.078870659217E-01 -1.893680176079E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.253201213187E-01 7.348736388908E-01 0.000000000000E+00 -3.722310887425E-01 7.762251838395E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.312969243617E-04 -1.723143745842E+00 0.000000000000E+00 8.464401800611E-01 -1.883975269691E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.024128455858E-01 7.240780003136E-01 0.000000000000E+00 -3.809286813392E-01 7.698834803866E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.358926324402E-02 -1.679414747393E+00 0.000000000000E+00 8.826616913161E-01 -1.874304999425E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.797904765172E-01 7.132529739445E-01 0.000000000000E+00 -3.893176355559E-01 7.635049601640E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.046636442965E-01 -1.636536667916E+00 0.000000000000E+00 9.165694028982E-01 -1.864542173357E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.574757271543E-01 7.024079396202E-01 0.000000000000E+00 -3.973884845154E-01 7.570839670446E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.528765591998E-01 -1.594517928081E+00 0.000000000000E+00 9.481909660979E-01 -1.854578876768E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.354895773328E-01 6.915519039023E-01 0.000000000000E+00 -4.051329591731E-01 7.506154055694E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.983157575202E-01 -1.553364156512E+00 0.000000000000E+00 9.775625346611E-01 -1.844324659513E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.138513303627E-01 6.806935038300E-01 0.000000000000E+00 -4.125439507873E-01 7.440947524985E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.410712830571E-01 -1.513078440377E+00 0.000000000000E+00 1.004727548724E+00 -1.833704837429E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.925786712530E-01 6.698410114674E-01 0.000000000000E+00 -4.196154703286E-01 7.375180610883E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.812348111245E-01 -1.473661561156E+00 0.000000000000E+00 1.029735636080E+00 -1.822658907670E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.716877260135E-01 6.590023391514E-01 0.000000000000E+00 -4.263426054446E-01 7.308819591030E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.188990533089E-01 -1.435112215663E+00 0.000000000000E+00 1.052641618805E+00 -1.811139075255E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.511931216197E-01 6.481850453521E-01 0.000000000000E+00 -4.327214755344E-01 7.241836414771E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.541572206152E-01 -1.397427222486E+00 0.000000000000E+00 1.073504614415E+00 -1.799108886571E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.311080462659E-01 6.373963410648E-01 0.000000000000E+00 -4.387491854285E-01 7.174208584597E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.871025387808E-01 -1.360601714181E+00 0.000000000000E+00 1.092387222381E+00 -1.786541964993E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.114443095770E-01 6.266430966583E-01 0.000000000000E+00 -4.444237781187E-01 7.105918999863E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.178278118325E-01 -1.324629315688E+00 0.000000000000E+00 1.109354788528E+00 -1.773420843691E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.221240248759E-02 6.159318491101E-01 0.000000000000E+00 -4.497441869295E-01 7.036955769500E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.464250315237E-01 -1.289502309605E+00 0.000000000000E+00 1.124474741281E+00 -1.759735890915E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.342155653422E-02 6.052688095659E-01 0.000000000000E+00 -4.547101874808E-01 6.967311999689E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.729850311283E-01 -1.255211789017E+00 0.000000000000E+00 1.137815994902E+00 -1.745484323272E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.507980233832E-02 5.946598711651E-01 0.000000000000E+00 -4.593223497482E-01 6.896985561816E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.975971823256E-01 -1.221747798611E+00 0.000000000000E+00 1.149448415543E+00 -1.730669302748E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.719402709216E-02 5.841106170776E-01 0.000000000000E+00 -4.635819904876E-01 6.825978845418E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.203491337450E-01 -1.189099464786E+00 0.000000000000E+00 1.159442346353E+00 -1.715299113299E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.977003088621E-02 5.736263287059E-01 0.000000000000E+00 -4.674911262563E-01 6.754298500244E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.413265892970E-01 -1.157255115451E+00 0.000000000000E+00 1.167868188025E+00 -1.699386412829E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.812581744025E-03 5.632119940067E-01 0.000000000000E+00 -4.710524272330E-01 6.681955171058E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.606131240586E-01 -1.126202390161E+00 0.000000000000E+00 1.174796031131E+00 -1.682947556366E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.367453074508E-02 5.528723158923E-01 0.000000000000E+00 -4.742691720030E-01 6.608963228334E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.782900349073E-01 -1.095928341214E+00 0.000000000000E+00 1.180295336540E+00 -1.666001986056E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.968844328376E-02 5.426117206771E-01 0.000000000000E+00 -4.771452034562E-01 6.535340497563E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.944362229583E-01 -1.066419526265E+00 0.000000000000E+00 1.184434660155E+00 -1.648571683618E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.522716828289E-02 5.324343665358E-01 0.000000000000E+00 -4.796848859143E-01 6.461107989524E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.091281046360E-01 -1.037662093037E+00 0.000000000000E+00 1.187281418176E+00 -1.630680680826E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.028954488677E-02 5.223441519450E-01 0.000000000000E+00 -4.818930635850E-01 6.386289633492E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.224395482419E-01 -1.009641856623E+00 0.000000000000E+00 1.188901689175E+00 -1.612354623613E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.487519164170E-02 5.123447240825E-01 0.000000000000E+00 -4.837750204209E-01 6.310912015078E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.344418329916E-01 -9.823443698882E-01 0.000000000000E+00 1.189360049387E+00 -1.593620385517E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.898446082869E-02 5.024394871618E-01 0.000000000000E+00 -4.853364414414E-01 6.235004120098E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.452036276843E-01 -9.557549874315E-01 0.000000000000E+00 1.188719437802E+00 -1.574505726302E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.026183944681E-01 4.926316106817E-01 0.000000000000E+00 -4.865833755615E-01 6.158597085633E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.547909864051E-01 -9.298589235634E-01 0.000000000000E+00 1.187041047867E+00 -1.555038991809E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.157786819935E-01 4.829240375734E-01 0.000000000000E+00 -4.875221999563E-01 6.081723959198E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.632673588992E-01 -9.046413047145E-01 0.000000000000E+00 1.184384242823E+00 -1.535248851277E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.284676195837E-01 4.733194922309E-01 0.000000000000E+00 -4.881595859784E-01 6.004419466783E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.706936135254E-01 -8.800872166822E-01 0.000000000000E+00 1.180806491984E+00 -1.515164068659E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.406880711309E-01 4.638204884107E-01 0.000000000000E+00 -4.885024666321E-01 5.926719790317E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.771280708967E-01 -8.561817470923E-01 0.000000000000E+00 1.176363325465E+00 -1.494813304640E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.524434308204E-01 4.544293369907E-01 0.000000000000E+00 -4.885580056023E-01 5.848662354986E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.826265465550E-01 -8.329100234361E-01 0.000000000000E+00 1.171108305117E+00 -1.474224946363E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.637375872887E-01 4.451481535782E-01 0.000000000000E+00 -4.883335678234E-01 5.770285626692E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.872424012020E-01 -8.102572470182E-01 0.000000000000E+00 1.165093009636E+00 -1.453426962067E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.745748893218E-01 4.359788659608E-01 0.000000000000E+00 -4.878366915703E-01 5.691628919822E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.910265971810E-01 -7.882087231368E-01 0.000000000000E+00 1.158367032014E+00 -1.432446778077E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.849601130556E-01 4.269232213924E-01 0.000000000000E+00 -4.870750620438E-01 5.612732215418E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.940277600538E-01 -7.667498877920E-01 0.000000000000E+00 1.150977987661E+00 -1.411311175795E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.948984306320E-01 4.179827937109E-01 0.000000000000E+00 -4.860564864202E-01 5.533635989729E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.484626427184E-02 -3.271272728806E-03 0.000000000000E+00 1.597617652208E-02 -8.761022306392E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.030977656499E-02 1.046218713369E-03 0.000000000000E+00 -5.079453461839E-03 2.426595243624E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.861567641182E-02 -2.314534166962E-03 0.000000000000E+00 1.152297409623E-02 -6.126118314324E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.058750866357E-03 6.754389769486E-04 0.000000000000E+00 -3.396845461403E-03 1.615514521894E-03 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.383398220338E-02 -1.631670778041E-03 0.000000000000E+00 8.268434348330E-03 -4.269710973821E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.751687266439E-03 4.342206732131E-04 0.000000000000E+00 -2.256547495168E-03 1.077732427981E-03 RangeSep CAM 0.330000 0.250000 0.750000 diff --git a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/skdef.hsd b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/skdef.hsd index 96c30f39..6a5009c9 100644 --- a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/skdef.hsd +++ b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/skdef.hsd @@ -103,10 +103,10 @@ OnecenterParameters { TwoCenterParameters { $EqGrid = EquidistantGrid { - GridStart = 0.6 - GridSeparation = 0.02 + GridStart = 5.0 + GridSeparation = 0.2 Tolerance = 5e-5 - MaxDistance = -1.4 + MaxDistance = -5.5 } $SkTwocnt_300_150 = Sktwocnt { diff --git a/test/prog/sktable/GGA-PBE96/Non-Relativistic/_N-N.skf b/test/prog/sktable/GGA-PBE96/Non-Relativistic/_N-N.skf index 03e6e957..77ec9246 100644 --- a/test/prog/sktable/GGA-PBE96/Non-Relativistic/_N-N.skf +++ b/test/prog/sktable/GGA-PBE96/Non-Relativistic/_N-N.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -2.606903244064E-01 -6.400000000000E-01 -1.273233142848E-02 0.000000000000E+00 4.308373884950E-01 4.308373884950E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 +0.200000 22 + 0.000000000000E+00 -2.606903243991E-01 -6.400000000000E-01 -1.273233142894E-02 0.000000000000E+00 4.308373885638E-01 4.308373885638E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 1.400700000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -20,73 +20,6 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.927789166906E-01 -1.599255142161E+00 0.000000000000E+00 1.050368788155E-02 -1.143145228116E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.750531022336E-01 8.446750327440E-01 0.000000000000E+00 -2.471774112415E-01 8.395109142420E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.321075208045E-01 -1.565722774046E+00 0.000000000000E+00 4.834865770744E-02 -1.125429715274E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.525338360947E-01 8.356146648592E-01 0.000000000000E+00 -2.569221364901E-01 8.333867218272E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.733597246381E-01 -1.532422970937E+00 0.000000000000E+00 8.562860151187E-02 -1.110003146647E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.299103508205E-01 8.264151227400E-01 0.000000000000E+00 -2.665906861108E-01 8.273102443405E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.165721704908E-01 -1.499393106054E+00 0.000000000000E+00 1.222136981725E-01 -1.096600726816E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.072172897822E-01 8.170864282864E-01 0.000000000000E+00 -2.761659909767E-01 8.212773652248E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.617701058187E-01 -1.466667009831E+00 0.000000000000E+00 1.579907664180E-01 -1.084976209294E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.844881181829E-01 8.076384259897E-01 0.000000000000E+00 -2.856316405829E-01 8.152835129545E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.089684958068E-01 -1.434275181338E+00 0.000000000000E+00 1.928620852138E-01 -1.074901598954E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.617551083381E-01 7.980807743937E-01 0.000000000000E+00 -2.949719202893E-01 8.093237696449E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.581730702120E-01 -1.402244995717E+00 0.000000000000E+00 2.267442367772E-01 -1.066166686237E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.390493291300E-01 7.884229386294E-01 0.000000000000E+00 -3.041718406987E-01 8.033929686763E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.093813039975E-01 -1.370600906079E+00 0.000000000000E+00 2.595669825709E-01 -1.058578452217E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.164006391693E-01 7.786741839265E-01 0.000000000000E+00 -3.132171600304E-01 7.974857820186E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.625833327104E-01 -1.339364638498E+00 0.000000000000E+00 2.912721798183E-01 -1.051960377113E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.938376832638E-01 7.688435700135E-01 0.000000000000E+00 -3.220944002774E-01 7.915967979353E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.177628043880E-01 -1.308555378906E+00 0.000000000000E+00 3.218127436597E-01 -1.046151679299E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.713878918499E-01 7.589399463276E-01 0.000000000000E+00 -3.307908578659E-01 7.857205897394E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.489767030951E-02 -1.278189950892E+00 0.000000000000E+00 3.511516581472E-01 -1.041006507051E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.490774830923E-01 7.489719479630E-01 0.000000000000E+00 -3.392946094665E-01 7.798517762518E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.396091688027E-02 -1.248282983666E+00 0.000000000000E+00 3.792610379204E-01 -1.036393101211E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.269314674002E-01 7.389479922926E-01 0.000000000000E+00 -3.475945135446E-01 7.739850745907E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.078759487354E-03 -1.218847069694E+00 0.000000000000E+00 4.061212416038E-01 -1.032192943626E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.049736541426E-01 7.288762762075E-01 0.000000000000E+00 -3.556802081774E-01 7.681153458939E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.225633323119E-02 -1.189892911905E+00 0.000000000000E+00 4.317200376830E-01 -1.028299903665E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.832266603802E-01 7.187647739205E-01 0.000000000000E+00 -3.635421056094E-01 7.622376345474E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.760988618958E-02 -1.161429460756E+00 0.000000000000E+00 4.560518235760E-01 -1.024619393142E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.617119214508E-01 7.086212352897E-01 0.000000000000E+00 -3.711713839707E-01 7.563472014622E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.111801000578E-01 -1.133464041719E+00 0.000000000000E+00 4.791168986949E-01 -1.021067538477E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.404497032701E-01 6.984531846201E-01 0.000000000000E+00 -3.785599765323E-01 7.504395519122E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.430098033103E-01 -1.106002474174E+00 0.000000000000E+00 5.009207923045E-01 -1.017570377495E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.194591162256E-01 6.882679199059E-01 0.000000000000E+00 -3.857005588353E-01 7.445104584153E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.731435711120E-01 -1.079049182644E+00 0.000000000000E+00 5.214736464156E-01 -1.014063087041E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.987581305522E-01 6.780725124815E-01 0.000000000000E+00 -3.925865339917E-01 7.385559791095E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.016273758127E-01 -1.052607301475E+00 0.000000000000E+00 5.407896530112E-01 -1.010489246320E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.783635930921E-01 6.678738070513E-01 0.000000000000E+00 -3.992120164207E-01 7.325724720467E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.285082829707E-01 -1.026678773683E+00 0.000000000000E+00 5.588865438485E-01 -1.006800139252E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.582912453468E-01 6.576784220705E-01 0.000000000000E+00 -4.055718142565E-01 7.265566058000E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.538341869352E-01 -1.001264444616E+00 0.000000000000E+00 5.757851298644E-01 -1.002954097587E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.385557427358E-01 6.474927504542E-01 0.000000000000E+00 -4.116614106343E-01 7.205053667513E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.776535799203E-01 -9.763641507651E-01 0.000000000000E+00 5.915088861570E-01 -9.989158852351E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.191706749812E-01 6.373229605912E-01 0.000000000000E+00 -4.174769440421E-01 7.144160634019E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.000153482264E-01 -9.519768038338E-01 0.000000000000E+00 6.060835779274E-01 -9.946561230069E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.001485875406E-01 6.271749976436E-01 0.000000000000E+00 -4.230151879000E-01 7.082863280228E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.209685898091E-01 -9.281004701981E-01 0.000000000000E+00 6.195369225915E-01 -9.901507521435E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.150100401090E-02 6.170545851126E-01 0.000000000000E+00 -4.282735295148E-01 7.021141159402E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.405624486444E-01 -9.047324457399E-01 0.000000000000E+00 6.318982834420E-01 -9.853805345622E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.323844943082E-02 6.069672266537E-01 0.000000000000E+00 -4.332499485398E-01 6.958977027264E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.588459623645E-01 -8.818693261284E-01 0.000000000000E+00 6.431983907724E-01 -9.803305875248E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.537047440602E-02 5.969182081254E-01 0.000000000000E+00 -4.379429950554E-01 6.896356795497E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.758679206043E-01 -8.595070726798E-01 0.000000000000E+00 6.534690870832E-01 -9.749899504028E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.790567998539E-02 5.869125998556E-01 0.000000000000E+00 -4.423517673743E-01 6.833269469129E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.916767327820E-01 -8.376410739624E-01 0.000000000000E+00 6.627430936679E-01 -9.693511814574E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.085174321497E-02 5.769552591122E-01 0.000000000000E+00 -4.464758896637E-01 6.769707069954E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.063203049903E-01 -8.162662033551E-01 0.000000000000E+00 6.710537965110E-01 -9.634099828536E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.784556702768E-03 5.670508327639E-01 0.000000000000E+00 -4.503154894689E-01 6.705664547939E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.198459259984E-01 -7.953768727709E-01 0.000000000000E+00 6.784350500229E-01 -9.571648523210E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.199731171629E-02 5.572037601187E-01 0.000000000000E+00 -4.538711752108E-01 6.641139682418E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.323001626078E-01 -7.749670827920E-01 0.000000000000E+00 6.849209975688E-01 -9.506167600766E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.778145777079E-02 5.474182759267E-01 0.000000000000E+00 -4.571440137265E-01 6.576132974724E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.437287648333E-01 -7.550304694384E-01 0.000000000000E+00 6.905459079908E-01 -9.437688498383E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.313274726319E-02 5.376984135368E-01 0.000000000000E+00 -4.601355079128E-01 6.510647533757E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.541765813035E-01 -7.355603477808E-01 0.000000000000E+00 6.953440274785E-01 -9.366261628738E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.804772117662E-02 5.280480081944E-01 0.000000000000E+00 -4.628475745262E-01 6.444688955864E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.636874850927E-01 -7.165497525525E-01 0.000000000000E+00 6.993494461881E-01 -9.291953840759E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.252368096332E-02 5.184707004693E-01 0.000000000000E+00 -4.652825221912E-01 6.378265200266E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.723043099342E-01 -6.979914759648E-01 0.000000000000E+00 7.025959790150E-01 -9.214846090630E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.655866024382E-02 5.089699398038E-01 0.000000000000E+00 -4.674430296586E-01 6.311386461191E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.800687965850E-01 -6.798781028592E-01 0.000000000000E+00 7.051170598587E-01 -9.135031312960E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.101513963885E-01 4.995489881686E-01 0.000000000000E+00 -4.693321243570E-01 6.244065037700E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.870215488941E-01 -6.622020433760E-01 0.000000000000E+00 7.069456486718E-01 -9.052612481736E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.233013020459E-01 4.902109238184E-01 0.000000000000E+00 -4.709531612715E-01 6.176315202155E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.932019990133E-01 -6.449555632343E-01 0.000000000000E+00 7.081141505143E-01 -8.967700850456E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.360084366805E-01 4.809586451356E-01 0.000000000000E+00 -4.723098021841E-01 6.108153068157E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.986483810703E-01 -6.281308117522E-01 0.000000000000E+00 7.086543458017E-01 -8.880414360643E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.482734781800E-01 4.717948745528E-01 0.000000000000E+00 -4.734059953050E-01 6.039596458677E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.033977125750E-01 -6.117198477513E-01 0.000000000000E+00 7.085973309146E-01 -8.790876207833E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.600976945898E-01 4.627221625459E-01 0.000000000000E+00 -4.742459553209E-01 5.970664775062E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.917268438593E-02 -1.416454120644E-02 0.000000000000E+00 6.311321792642E-02 -4.438092684855E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.303626673568E-02 1.091687928548E-02 0.000000000000E+00 -4.583284516614E-02 2.624309147625E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.242242393454E-02 -1.012409039722E-02 0.000000000000E+00 4.751176184533E-02 -3.215611546677E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.605305817512E-02 7.336707403381E-03 0.000000000000E+00 -3.307388489986E-02 1.802047263925E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.863787919579E-02 -7.145595245344E-03 0.000000000000E+00 3.526132861364E-02 -2.296782763346E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.221387620593E-02 4.781045215826E-03 0.000000000000E+00 -2.324487869606E-02 1.203340785286E-02 diff --git a/test/prog/sktable/GGA-PBE96/Non-Relativistic/_N-O.skf b/test/prog/sktable/GGA-PBE96/Non-Relativistic/_N-O.skf index 4487272e..25533bde 100644 --- a/test/prog/sktable/GGA-PBE96/Non-Relativistic/_N-O.skf +++ b/test/prog/sktable/GGA-PBE96/Non-Relativistic/_N-O.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 22 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -19,73 +19,6 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.304585211201E-01 -1.725853306462E+00 0.000000000000E+00 -8.373006657699E-02 -1.269146591425E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.422009897967E-01 8.281126770784E-01 0.000000000000E+00 -2.203400068914E-01 8.262644876339E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.628362932752E-01 -1.686118591579E+00 0.000000000000E+00 -3.717557555888E-02 -1.254522842659E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.188824626888E-01 8.185137687008E-01 0.000000000000E+00 -2.301437362074E-01 8.202517876218E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.977935041919E-01 -1.646795428803E+00 0.000000000000E+00 8.456234159669E-03 -1.242041519751E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.955252549506E-01 8.087853862915E-01 0.000000000000E+00 -2.398906323486E-01 8.142768864190E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.353438909929E-01 -1.607924303433E+00 0.000000000000E+00 5.301210930673E-02 -1.231395731380E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.721660142112E-01 7.989386872472E-01 0.000000000000E+00 -2.495599916021E-01 8.083333401562E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.754881815308E-01 -1.569541147669E+00 0.000000000000E+00 9.636162899038E-02 -1.222305171043E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.488398408738E-01 7.889845714533E-01 0.000000000000E+00 -2.591319960385E-01 8.024144828472E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.182156318915E-01 -1.531677662525E+00 0.000000000000E+00 1.383953045604E-01 -1.214515025575E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.255802883062E-01 7.789336738562E-01 0.000000000000E+00 -2.685877532736E-01 7.965135395513E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.635054483110E-01 -1.494361625453E+00 0.000000000000E+00 1.790227519970E-01 -1.207794743367E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.024193676883E-01 7.687963583440E-01 0.000000000000E+00 -2.779093264833E-01 7.906237251884E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.113280966820E-01 -1.457617181989E+00 0.000000000000E+00 2.181709466077E-01 -1.201936708668E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.793875569231E-01 7.585827128071E-01 0.000000000000E+00 -2.870797557941E-01 7.847383301671E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.164650284801E-02 -1.421465120233E+00 0.000000000000E+00 2.557825667293E-01 -1.196754859576E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.565138130985E-01 7.483025452615E-01 0.000000000000E+00 -2.960830720604E-01 7.788507939425E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.441714637042E-02 -1.385923127649E+00 0.000000000000E+00 2.918144311178E-01 -1.192083280241E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.338255880621E-01 7.379653809277E-01 0.000000000000E+00 -3.049043039410E-01 7.729547675661E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.040895005538E-02 -1.351006030308E+00 0.000000000000E+00 3.262360335001E-01 -1.187774792140E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.113488467338E-01 7.275804601731E-01 0.000000000000E+00 -3.135294790957E-01 7.670441662391E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.288533331768E-02 -1.316726015388E+00 0.000000000000E+00 3.590281769372E-01 -1.183699564855E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.891080878334E-01 7.171567372317E-01 0.000000000000E+00 -3.219456202359E-01 7.611132128161E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.130693315924E-01 -1.283092838246E+00 0.000000000000E+00 3.901817097174E-01 -1.179743763037E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.671263667465E-01 7.067028796260E-01 0.000000000000E+00 -3.301407366860E-01 7.551564731468E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.510213600865E-01 -1.250114015644E+00 0.000000000000E+00 4.196963631340E-01 -1.175808242855E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.454253202892E-01 6.962272682249E-01 0.000000000000E+00 -3.381038120437E-01 7.491688840843E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.868043136111E-01 -1.217795006714E+00 0.000000000000E+00 4.475796896092E-01 -1.171807307979E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.240251931628E-01 6.857379978744E-01 0.000000000000E+00 -3.458247884625E-01 7.431457749248E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.204830366664E-01 -1.186139382977E+00 0.000000000000E+00 4.738460974487E-01 -1.167667531862E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.029448659165E-01 6.752428785509E-01 0.000000000000E+00 -3.532945480250E-01 7.370828829913E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.521238603551E-01 -1.155148988375E+00 0.000000000000E+00 4.985159764385E-01 -1.163326650027E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.822018842554E-01 6.647494369854E-01 0.000000000000E+00 -3.605048916234E-01 7.309763640133E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.817941951313E-01 -1.124824089933E+00 0.000000000000E+00 5.216149069344E-01 -1.158732523372E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.618124895486E-01 6.542649187183E-01 0.000000000000E+00 -3.674485157197E-01 7.248227979044E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.095621691486E-01 -1.095163519396E+00 0.000000000000E+00 5.431729442912E-01 -1.153842171403E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.417916504061E-01 6.437962905430E-01 0.000000000000E+00 -3.741189873186E-01 7.186191904912E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.354963035326E-01 -1.066164806081E+00 0.000000000000E+00 5.632239704578E-01 -1.148620872849E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.221530952029E-01 6.333502433054E-01 0.000000000000E+00 -3.805107174498E-01 7.123629716956E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.596652178891E-01 -1.037824301172E+00 0.000000000000E+00 5.818051051900E-01 -1.143041330375E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.029093454382E-01 6.229331950263E-01 0.000000000000E+00 -3.866189334243E-01 7.060519906346E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.821373614099E-01 -1.010137293723E+00 0.000000000000E+00 5.989561703663E-01 -1.137082895764E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.407174982325E-02 6.125512943177E-01 0.000000000000E+00 -3.924396501045E-01 6.996845080544E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.029807667447E-01 -9.830981187145E-01 0.000000000000E+00 6.147192020828E-01 -1.130730852076E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.565051899776E-02 6.022104240669E-01 0.000000000000E+00 -3.979696403988E-01 6.932591864828E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.222628252067E-01 -9.567002575547E-01 0.000000000000E+00 6.291380063482E-01 -1.123975749538E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.765476077913E-02 5.919162053634E-01 0.000000000000E+00 -4.032064051726E-01 6.867750784458E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.400500827907E-01 -9.309364314540E-01 0.000000000000E+00 6.422577551481E-01 -1.116812792242E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.009251585137E-02 5.816740016467E-01 0.000000000000E+00 -4.081481427474E-01 6.802316130608E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.564080569378E-01 -9.057986880964E-01 0.000000000000E+00 6.541246203449E-01 -1.109241273052E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.297079380490E-02 5.714889230541E-01 0.000000000000E+00 -4.127937181404E-01 6.736285812914E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.714010740646E-01 -8.812784820264E-01 0.000000000000E+00 6.647854433078E-01 -1.101264054323E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.704390559390E-03 5.613658309478E-01 0.000000000000E+00 -4.171426321845E-01 6.669661201176E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.850921277030E-01 -8.573667491413E-01 0.000000000000E+00 6.742874383786E-01 -1.092887092175E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.992798074585E-02 5.513093426051E-01 0.000000000000E+00 -4.211949906507E-01 6.602446958513E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.975427567955E-01 -8.340539756523E-01 0.000000000000E+00 6.826779283262E-01 -1.084119002101E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.569584198080E-02 5.413238360529E-01 0.000000000000E+00 -4.249514734864E-01 6.534650868033E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.088129433574E-01 -8.113302618484E-01 0.000000000000E+00 6.900041099080E-01 -1.074970663708E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.100472460926E-02 5.314134550310E-01 0.000000000000E+00 -4.284133042674E-01 6.466283654841E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.189610284243E-01 -7.891853809761E-01 0.000000000000E+00 6.963128475870E-01 -1.065454862335E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.585222754787E-02 5.215821140684E-01 0.000000000000E+00 -4.315822199547E-01 6.397358805046E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.280436449890E-01 -7.676088335218E-01 0.000000000000E+00 7.016504933971E-01 -1.055585965281E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.023676186746E-02 5.118335036594E-01 0.000000000000E+00 -4.344604410357E-01 6.327892383192E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.361156665061E-01 -7.465898971716E-01 0.000000000000E+00 7.060627309312E-01 -1.045379630362E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.415751457615E-02 5.021710955236E-01 0.000000000000E+00 -4.370506421201E-01 6.257902849427E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.432301694975E-01 -7.261176727036E-01 0.000000000000E+00 7.095944414429E-01 -1.034852544529E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.076144126704E-01 4.925981479381E-01 0.000000000000E+00 -4.393559230563E-01 6.187410877521E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.494384088119E-01 -7.061811260601E-01 0.000000000000E+00 7.122895901161E-01 -1.024022190320E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.206080875189E-01 4.831177111297E-01 0.000000000000E+00 -4.413797806215E-01 6.116439174733E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.547898041522E-01 -6.867691268321E-01 0.000000000000E+00 7.141911306403E-01 -1.012906637995E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.331398396398E-01 4.737326327132E-01 0.000000000000E+00 -4.431260808369E-01 6.045012304384E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.593319365754E-01 -6.678704833805E-01 0.000000000000E+00 7.153409263406E-01 -1.001524361279E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.452116039303E-01 4.644455631662E-01 0.000000000000E+00 -4.445990319513E-01 5.973156511888E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.631105537681E-01 -6.494739748043E-01 0.000000000000E+00 7.157796862246E-01 -9.898940747502E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.568259154017E-01 4.552589613293E-01 0.000000000000E+00 -4.458031581280E-01 5.900899554876E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.661695830064E-01 -6.315683799617E-01 0.000000000000E+00 7.155469144287E-01 -9.780345910022E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.679858754715E-01 4.461750999199E-01 0.000000000000E+00 -4.467432738709E-01 5.828270537944E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.685511508060E-01 -6.141425037387E-01 0.000000000000E+00 7.146808716651E-01 -9.659646958511E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.786951188591E-01 4.371960710518E-01 0.000000000000E+00 -4.474244592125E-01 5.755299752503E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.226966031346E-02 -1.253564119925E-02 0.000000000000E+00 5.593660028562E-02 -3.797184834195E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.543144775132E-02 9.404132036441E-03 0.000000000000E+00 -3.973444205077E-02 2.105600473280E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.655621504838E-02 -8.877802752668E-03 0.000000000000E+00 4.172995217613E-02 -2.702297547874E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.992194193053E-02 6.222015660020E-03 0.000000000000E+00 -2.832196973957E-02 1.425036972380E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.373789564287E-02 -6.201168116982E-03 0.000000000000E+00 3.065986223415E-02 -1.895061851614E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.730761493275E-02 3.966972178711E-03 0.000000000000E+00 -1.958293145154E-02 9.374213444248E-03 diff --git a/test/prog/sktable/GGA-PBE96/Non-Relativistic/_O-N.skf b/test/prog/sktable/GGA-PBE96/Non-Relativistic/_O-N.skf index 70d5bc22..4fe211fe 100644 --- a/test/prog/sktable/GGA-PBE96/Non-Relativistic/_O-N.skf +++ b/test/prog/sktable/GGA-PBE96/Non-Relativistic/_O-N.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 22 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -19,73 +19,6 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.304585211201E-01 -1.725853306462E+00 0.000000000000E+00 3.276993478468E-01 -1.269146591425E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.422009897967E-01 8.281126770784E-01 0.000000000000E+00 -3.129524011487E-01 8.262644876339E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.628362932752E-01 -1.686118591579E+00 0.000000000000E+00 3.696580123175E-01 -1.254522842659E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.188824626888E-01 8.185137687008E-01 0.000000000000E+00 -3.235147908574E-01 8.202517876218E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.977935041919E-01 -1.646795428803E+00 0.000000000000E+00 4.103061610957E-01 -1.242041519751E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.955252549506E-01 8.087853862915E-01 0.000000000000E+00 -3.338842861124E-01 8.142768864190E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.353438909929E-01 -1.607924303433E+00 0.000000000000E+00 4.495412703070E-01 -1.231395731380E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.721660142112E-01 7.989386872472E-01 0.000000000000E+00 -3.440445884989E-01 8.083333401562E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.754881815308E-01 -1.569541147669E+00 0.000000000000E+00 4.872797326504E-01 -1.222305171043E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.488398408738E-01 7.889845714533E-01 0.000000000000E+00 -3.539804194030E-01 8.024144828472E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.182156318915E-01 -1.531677662525E+00 0.000000000000E+00 5.234551243605E-01 -1.214515025575E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.255802883062E-01 7.789336738562E-01 0.000000000000E+00 -3.636775331636E-01 7.965135395513E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.635054483110E-01 -1.494361625453E+00 0.000000000000E+00 5.580165546039E-01 -1.207794743367E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.024193676883E-01 7.687963583440E-01 0.000000000000E+00 -3.731227219828E-01 7.906237251884E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.113280966820E-01 -1.457617181989E+00 0.000000000000E+00 5.909271035631E-01 -1.201936708668E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.793875569231E-01 7.585827128071E-01 0.000000000000E+00 -3.823038137333E-01 7.847383301671E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.164650284801E-02 -1.421465120233E+00 0.000000000000E+00 6.221623529841E-01 -1.196754859576E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.565138130985E-01 7.483025452615E-01 0.000000000000E+00 -3.912096636868E-01 7.788507939425E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.441714637042E-02 -1.385923127649E+00 0.000000000000E+00 6.517090114716E-01 -1.192083280241E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.338255880621E-01 7.379653809277E-01 0.000000000000E+00 -3.998301410759E-01 7.729547675661E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.040895005538E-02 -1.351006030308E+00 0.000000000000E+00 6.795636360287E-01 -1.187774792140E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.113488467338E-01 7.275804601731E-01 0.000000000000E+00 -4.081561113074E-01 7.670441662391E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.288533331768E-02 -1.316726015388E+00 0.000000000000E+00 7.057314508251E-01 -1.183699564855E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.891080878334E-01 7.171567372317E-01 0.000000000000E+00 -4.161794145439E-01 7.611132128161E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.130693315924E-01 -1.283092838246E+00 0.000000000000E+00 7.302252634998E-01 -1.179743763037E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.671263667465E-01 7.067028796260E-01 0.000000000000E+00 -4.238928412906E-01 7.551564731468E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.510213600865E-01 -1.250114015644E+00 0.000000000000E+00 7.530644781421E-01 -1.175808242855E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.454253202892E-01 6.962272682249E-01 0.000000000000E+00 -4.312901055422E-01 7.491688840843E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.868043136111E-01 -1.217795006714E+00 0.000000000000E+00 7.742742024127E-01 -1.171807307979E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.240251931628E-01 6.857379978744E-01 0.000000000000E+00 -4.383658159768E-01 7.431457749248E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.204830366664E-01 -1.186139382977E+00 0.000000000000E+00 7.938844443140E-01 -1.167667531862E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.029448659165E-01 6.752428785509E-01 0.000000000000E+00 -4.451154456173E-01 7.370828829913E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.521238603551E-01 -1.155148988375E+00 0.000000000000E+00 8.119293922771E-01 -1.163326650027E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.822018842554E-01 6.647494369854E-01 0.000000000000E+00 -4.515353003289E-01 7.309763640133E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.817941951313E-01 -1.124824089933E+00 0.000000000000E+00 8.284467709135E-01 -1.158732523372E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.618124895486E-01 6.542649187183E-01 0.000000000000E+00 -4.576224864663E-01 7.248227979044E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.095621691486E-01 -1.095163519396E+00 0.000000000000E+00 8.434772641692E-01 -1.153842171403E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.417916504061E-01 6.437962905430E-01 0.000000000000E+00 -4.633748779438E-01 7.186191904912E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.354963035326E-01 -1.066164806081E+00 0.000000000000E+00 8.570639977511E-01 -1.148620872849E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.221530952029E-01 6.333502433054E-01 0.000000000000E+00 -4.687910829603E-01 7.123629716956E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.596652178891E-01 -1.037824301172E+00 0.000000000000E+00 8.692520734129E-01 -1.143041330375E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.029093454382E-01 6.229331950263E-01 0.000000000000E+00 -4.738704105795E-01 7.060519906346E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.821373614099E-01 -1.010137293723E+00 0.000000000000E+00 8.800881487523E-01 -1.137082895764E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.407174982325E-02 6.125512943177E-01 0.000000000000E+00 -4.786128373338E-01 6.996845080544E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.029807667447E-01 -9.830981187145E-01 0.000000000000E+00 8.896200573694E-01 -1.130730852076E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.565051899776E-02 6.022104240669E-01 0.000000000000E+00 -4.830189739966E-01 6.932591864828E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.222628252067E-01 -9.567002575547E-01 0.000000000000E+00 8.978964653592E-01 -1.123975749538E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.765476077913E-02 5.919162053634E-01 0.000000000000E+00 -4.870900326450E-01 6.867750784458E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.400500827907E-01 -9.309364314540E-01 0.000000000000E+00 9.049665610577E-01 -1.116812792242E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.009251585137E-02 5.816740016467E-01 0.000000000000E+00 -4.908277941152E-01 6.802316130608E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.564080569378E-01 -9.057986880964E-01 0.000000000000E+00 9.108797756640E-01 -1.109241273052E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.297079380490E-02 5.714889230541E-01 0.000000000000E+00 -4.942345759375E-01 6.736285812914E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.714010740646E-01 -8.812784820264E-01 0.000000000000E+00 9.156855328246E-01 -1.101264054323E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.704390559390E-03 5.613658309478E-01 0.000000000000E+00 -4.973132008231E-01 6.669661201176E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.850921277030E-01 -8.573667491413E-01 0.000000000000E+00 9.194330255245E-01 -1.092887092175E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.992798074585E-02 5.513093426051E-01 0.000000000000E+00 -5.000669657632E-01 6.602446958513E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.975427567955E-01 -8.340539756523E-01 0.000000000000E+00 9.221710187366E-01 -1.084119002101E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.569584198080E-02 5.413238360529E-01 0.000000000000E+00 -5.024996117910E-01 6.534650868033E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.088129433574E-01 -8.113302618484E-01 0.000000000000E+00 9.239476762944E-01 -1.074970663708E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.100472460926E-02 5.314134550310E-01 0.000000000000E+00 -5.046152944456E-01 6.466283654841E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.189610284243E-01 -7.891853809761E-01 0.000000000000E+00 9.248104104225E-01 -1.065454862335E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.585222754787E-02 5.215821140684E-01 0.000000000000E+00 -5.064185549757E-01 6.397358805046E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.280436449890E-01 -7.676088335218E-01 0.000000000000E+00 9.248057523207E-01 -1.055585965281E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.023676186746E-02 5.118335036594E-01 0.000000000000E+00 -5.079142923054E-01 6.327892383192E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.361156665061E-01 -7.465898971716E-01 0.000000000000E+00 9.239792421780E-01 -1.045379630362E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.415751457615E-02 5.021710955236E-01 0.000000000000E+00 -5.091077357886E-01 6.257902849427E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.432301694975E-01 -7.261176727036E-01 0.000000000000E+00 9.223753369944E-01 -1.034852544529E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.076144126704E-01 4.925981479381E-01 0.000000000000E+00 -5.100044187656E-01 6.187410877521E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.494384088119E-01 -7.061811260601E-01 0.000000000000E+00 9.200373346226E-01 -1.024022190320E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.206080875189E-01 4.831177111297E-01 0.000000000000E+00 -5.106101529373E-01 6.116439174733E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.547898041522E-01 -6.867691268321E-01 0.000000000000E+00 9.170073124997E-01 -1.012906637995E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.331398396398E-01 4.737326327132E-01 0.000000000000E+00 -5.109310035642E-01 6.045012304384E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.593319365754E-01 -6.678704833805E-01 0.000000000000E+00 9.133260796097E-01 -1.001524361279E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.452116039303E-01 4.644455631662E-01 0.000000000000E+00 -5.109732654998E-01 5.973156511888E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.631105537681E-01 -6.494739748043E-01 0.000000000000E+00 9.090331403101E-01 -9.898940747502E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.568259154017E-01 4.552589613293E-01 0.000000000000E+00 -5.107434400583E-01 5.900899554876E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.661695830064E-01 -6.315683799617E-01 0.000000000000E+00 9.041666687446E-01 -9.780345910022E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.679858754715E-01 4.461750999199E-01 0.000000000000E+00 -5.102482127217E-01 5.828270537944E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.685511508060E-01 -6.141425037387E-01 0.000000000000E+00 8.987634926630E-01 -9.659646958511E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.786951188591E-01 4.371960710518E-01 0.000000000000E+00 -5.094944316828E-01 5.755299752503E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.226966031346E-02 -1.253564119925E-02 0.000000000000E+00 5.693945950583E-02 -3.797184834195E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.543144775132E-02 9.404132036441E-03 0.000000000000E+00 -3.778086429216E-02 2.105600473280E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.655621504838E-02 -8.877802752668E-03 0.000000000000E+00 4.197804067825E-02 -2.702297547874E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.992194193053E-02 6.222015660020E-03 0.000000000000E+00 -2.680910466285E-02 1.425036972380E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.373789564287E-02 -6.201168116982E-03 0.000000000000E+00 3.047577735913E-02 -1.895061851614E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.730761493275E-02 3.966972178711E-03 0.000000000000E+00 -1.849716816573E-02 9.374213444248E-03 diff --git a/test/prog/sktable/GGA-PBE96/Non-Relativistic/_O-O.skf b/test/prog/sktable/GGA-PBE96/Non-Relativistic/_O-O.skf index 1a29905c..1531755a 100644 --- a/test/prog/sktable/GGA-PBE96/Non-Relativistic/_O-O.skf +++ b/test/prog/sktable/GGA-PBE96/Non-Relativistic/_O-O.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -3.320479883565E-01 -8.787221136524E-01 0.000000000000E+00 0.000000000000E+00 4.953759676584E-01 4.953759676584E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 +0.200000 22 + 0.000000000000E+00 -3.320479883526E-01 -8.787221136493E-01 0.000000000000E+00 0.000000000000E+00 4.953759654327E-01 4.953759654327E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 1.601000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -20,73 +20,6 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.405053762270E-01 -1.867893058517E+00 0.000000000000E+00 2.587262677912E-01 -1.439337659948E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.098112390425E-01 8.165404215378E-01 0.000000000000E+00 -2.900785382475E-01 8.267408376886E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.654105347282E-01 -1.820549087957E+00 0.000000000000E+00 3.094078066071E-01 -1.426193679449E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.854688043920E-01 8.062532526451E-01 0.000000000000E+00 -3.006905134662E-01 8.204495874131E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.937432633271E-01 -1.773870564336E+00 0.000000000000E+00 3.582642518440E-01 -1.414999794558E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.611684332292E-01 7.958488843311E-01 0.000000000000E+00 -3.111159207843E-01 8.141831441280E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.254800192659E-01 -1.727899994813E+00 0.000000000000E+00 4.051814102357E-01 -1.405409533969E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.369489114595E-01 7.853398385028E-01 0.000000000000E+00 -3.213352600214E-01 8.079333054366E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.605827909547E-01 -1.682674042867E+00 0.000000000000E+00 4.500704735725E-01 -1.397112269812E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.128470152322E-01 7.747382750625E-01 0.000000000000E+00 -3.313303430675E-01 8.016919096785E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.900118731218E-02 -1.638223997844E+00 0.000000000000E+00 4.928653634254E-01 -1.389831050064E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.888975325333E-01 7.640559864962E-01 0.000000000000E+00 -3.410843012605E-01 7.954509483653E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.067433173665E-02 -1.594576214106E+00 0.000000000000E+00 5.335202389699E-01 -1.383320349260E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.651332898363E-01 7.533043940365E-01 0.000000000000E+00 -3.505815829030E-01 7.892026607494E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.446743440912E-02 -1.551752519557E+00 0.000000000000E+00 5.720071744548E-01 -1.377363791676E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.415851830666E-01 7.424945452275E-01 0.000000000000E+00 -3.598079423719E-01 7.829396122875E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.650103359200E-02 -1.509770594605E+00 0.000000000000E+00 6.083140107316E-01 -1.371771890669E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.182822122457E-01 7.316371127390E-01 0.000000000000E+00 -3.687504221076E-01 7.766547586505E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.155093121123E-01 -1.468644323685E+00 0.000000000000E+00 6.424423831320E-01 -1.366379839218E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.952515192723E-01 7.207423942921E-01 0.000000000000E+00 -3.773973286258E-01 7.703414968292E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.615798678561E-01 -1.428384122035E+00 0.000000000000E+00 6.744059251534E-01 -1.361045379137E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.725184283708E-01 7.098203135760E-01 0.000000000000E+00 -3.857382035523E-01 7.639937047656E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.048040312491E-01 -1.388997240457E+00 0.000000000000E+00 7.042286437461E-01 -1.355646769297E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.501064888077E-01 6.988804220441E-01 0.000000000000E+00 -3.937637905624E-01 7.576057708355E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.452759813558E-01 -1.350488050324E+00 0.000000000000E+00 7.319434579920E-01 -1.350080866317E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.280375195260E-01 6.879319014951E-01 0.000000000000E+00 -4.014659989942E-01 7.511726143943E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.830919772278E-01 -1.312858310456E+00 0.000000000000E+00 7.575908894369E-01 -1.344261325008E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.063316553961E-01 6.769835673510E-01 0.000000000000E+00 -4.088378648062E-01 7.446896984987E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.183496848908E-01 -1.276107416870E+00 0.000000000000E+00 7.812178900188E-01 -1.338116920554E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.850073948164E-01 6.660438725549E-01 0.000000000000E+00 -4.158735094637E-01 7.381530358128E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.511475825279E-01 -1.240232636069E+00 0.000000000000E+00 8.028767927358E-01 -1.331589990583E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.640816484290E-01 6.551209120196E-01 0.000000000000E+00 -4.225680972589E-01 7.315591886191E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.815844297839E-01 -1.205229322335E+00 0.000000000000E+00 8.226243707914E-01 -1.324634992736E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.435697887406E-01 6.442224275660E-01 0.000000000000E+00 -4.289177915034E-01 7.249052637624E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.097587908700E-01 -1.171091119583E+00 0.000000000000E+00 8.405209925381E-01 -1.317217172089E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.234857004596E-01 6.333558132936E-01 0.000000000000E+00 -4.349197099715E-01 7.181889032768E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.357686046313E-01 -1.137810148400E+00 0.000000000000E+00 8.566298615833E-01 -1.309311332383E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.038418313765E-01 6.225281213351E-01 0.000000000000E+00 -4.405718799202E-01 7.114082713689E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.597107975255E-01 -1.105377179031E+00 0.000000000000E+00 8.710163335084E-01 -1.300900705159E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.464924362988E-02 6.117460679488E-01 0.000000000000E+00 -4.458731929663E-01 7.045620383601E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.816809373675E-01 -1.073781791105E+00 0.000000000000E+00 8.837473024603E-01 -1.291975911321E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.591766521310E-02 6.010160399074E-01 0.000000000000E+00 -4.508233600625E-01 6.976493621291E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.017729267493E-01 -1.043012520950E+00 0.000000000000E+00 8.948906522655E-01 -1.282534010077E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.765554158365E-02 5.903441011475E-01 0.000000000000E+00 -4.554228667772E-01 6.906698675340E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.200787353888E-01 -1.013056997295E+00 0.000000000000E+00 9.045147676511E-01 -1.272577630566E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.987008724967E-02 5.797359996425E-01 0.000000000000E+00 -4.596729290556E-01 6.836236242427E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.366881705118E-01 -9.839020661317E-01 0.000000000000E+00 9.126881017012E-01 -1.262114181730E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.256733721353E-02 5.691971744715E-01 0.000000000000E+00 -4.635754496122E-01 6.765111233498E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.516886839462E-01 -9.555339054332E-01 0.000000000000E+00 9.194787959179E-01 -1.251155136045E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.247801839857E-03 5.587327630519E-01 0.000000000000E+00 -4.671329750810E-01 6.693332531132E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.651652140959E-01 -9.279381304047E-01 0.000000000000E+00 9.249543493264E-01 -1.239715382816E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.057150071556E-02 5.483476085112E-01 0.000000000000E+00 -4.703486540324E-01 6.620912741062E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.772000604932E-01 -9.010998898656E-01 0.000000000000E+00 9.291813330365E-01 -1.227812646637E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.640095734174E-02 5.380462671723E-01 0.000000000000E+00 -4.732261959471E-01 6.547867940392E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.878727882852E-01 -8.750039543378E-01 0.000000000000E+00 9.322251466497E-01 -1.215466966667E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.173434695686E-02 5.278330161300E-01 0.000000000000E+00 -4.757698312217E-01 6.474217424786E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.972601598188E-01 -8.496347963789E-01 0.000000000000E+00 9.341498129057E-01 -1.202700232321E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.657077293869E-02 5.177118608974E-01 0.000000000000E+00 -4.779842722691E-01 6.399983456543E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.054360904337E-01 -8.249766636658E-01 0.000000000000E+00 9.350178070233E-01 -1.189535771065E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.091021835698E-02 5.076865431011E-01 0.000000000000E+00 -4.798746757645E-01 6.325191015245E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.124716256412E-01 -8.010136453136E-01 0.000000000000E+00 9.348899173154E-01 -1.175997984102E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.475349832604E-02 4.977605482091E-01 0.000000000000E+00 -4.814466060771E-01 6.249867552409E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.184349370101E-01 -7.777297318891E-01 0.000000000000E+00 9.338251338200E-01 -1.162112025872E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.081022132275E-01 4.879371132713E-01 0.000000000000E+00 -4.827059999208E-01 6.174042751356E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.233913342760E-01 -7.551088695569E-01 0.000000000000E+00 9.318805618937E-01 -1.147903523485E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.209587028680E-01 4.782192346595E-01 0.000000000000E+00 -4.836591322456E-01 6.097748293311E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.274032914106E-01 -7.331350087742E-01 0.000000000000E+00 9.291113579332E-01 -1.133398332432E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.333260016306E-01 4.686096757884E-01 0.000000000000E+00 -4.843125833892E-01 6.021017630592E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.305304846046E-01 -7.117921479306E-01 0.000000000000E+00 9.255706846181E-01 -1.118622325127E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.452077946738E-01 4.591109748066E-01 0.000000000000E+00 -4.846732074983E-01 5.943885767557E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.328298403381E-01 -6.910643723078E-01 0.000000000000E+00 9.213096832919E-01 -1.103601209063E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.566083752241E-01 4.497254522428E-01 0.000000000000E+00 -4.847481022240E-01 5.866389049887E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.343555919060E-01 -6.709358887143E-01 0.000000000000E+00 9.163774613174E-01 -1.088360371645E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.675326030070E-01 4.404552185951E-01 0.000000000000E+00 -4.845445796945E-01 5.788564962600E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.351593429531E-01 -6.513910561293E-01 0.000000000000E+00 9.108210924442E-01 -1.072924748917E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.779858638503E-01 4.313021818531E-01 0.000000000000E+00 -4.840701387581E-01 5.710451937149E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.352901367356E-01 -6.324144126717E-01 0.000000000000E+00 9.046856284188E-01 -1.057318715697E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.879740304922E-01 4.222680549406E-01 0.000000000000E+00 -4.833324384902E-01 5.632089167795E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.347945299730E-01 -6.139906991911E-01 0.000000000000E+00 8.980141202432E-01 -1.041565994782E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.975034246209E-01 4.133543630713E-01 0.000000000000E+00 -4.823392729530E-01 5.553516437408E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.586214071503E-02 -1.104967423507E-02 0.000000000000E+00 4.997280443919E-02 -3.193643173130E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.861493800560E-02 8.076522199898E-03 0.000000000000E+00 -3.255106264754E-02 1.673365071896E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.116113311406E-02 -7.744360553387E-03 0.000000000000E+00 3.646295958185E-02 -2.237616903963E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.444813100547E-02 5.249283165871E-03 0.000000000000E+00 -2.276373920699E-02 1.117732676473E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.925505460909E-02 -5.344114957432E-03 0.000000000000E+00 2.615232893117E-02 -1.545311937262E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.294412038133E-02 3.261199214350E-03 0.000000000000E+00 -1.539680886254E-02 7.260135298151E-03 diff --git a/test/prog/sktable/GGA-PBE96/Non-Relativistic/skdef.hsd b/test/prog/sktable/GGA-PBE96/Non-Relativistic/skdef.hsd index b2084972..8dfe5a24 100644 --- a/test/prog/sktable/GGA-PBE96/Non-Relativistic/skdef.hsd +++ b/test/prog/sktable/GGA-PBE96/Non-Relativistic/skdef.hsd @@ -95,10 +95,10 @@ OnecenterParameters { TwoCenterParameters { $EqGrid = EquidistantGrid { - GridStart = 0.6 - GridSeparation = 0.02 + GridStart = 4.0 + GridSeparation = 0.2 Tolerance = 5e-5 - MaxDistance = -1.4 + MaxDistance = -4.5 } $SkTwocnt_300_150 = Sktwocnt { diff --git a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_C-C.skf b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_C-C.skf index 19226abe..75020178 100644 --- a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_C-C.skf +++ b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_C-C.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -1.907858170122E-01 -5.666359870721E-01 -7.057168277460E-02 0.000000000000E+00 3.582851306620E-01 3.582851306620E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 +0.200000 17 + 0.000000000000E+00 -1.907858170251E-01 -5.666359870843E-01 -7.057168277463E-02 0.000000000000E+00 3.582851292291E-01 3.582851292291E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 1.201000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -15,80 +15,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.152031075253E-01 -1.177408871280E+00 0.000000000000E+00 -1.155878536671E-01 -9.771530178189E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.730575293974E-01 8.833514209299E-01 0.000000000000E+00 -2.066130535735E-01 8.637212319443E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.768465372590E-01 -1.158507508569E+00 0.000000000000E+00 -9.313886937838E-02 -9.566818922757E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.545519820831E-01 8.762698805200E-01 0.000000000000E+00 -2.150454730913E-01 8.581093738214E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.391940291234E-01 -1.139600070503E+00 0.000000000000E+00 -7.051308436959E-02 -9.381842217152E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.358319705205E-01 8.690492221564E-01 0.000000000000E+00 -2.234826282269E-01 8.525386537950E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.022900446780E-01 -1.120709348584E+00 0.000000000000E+00 -4.780433858471E-02 -9.215070410229E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.169221745275E-01 8.616959691211E-01 0.000000000000E+00 -2.319128077761E-01 8.470091878369E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.661732398390E-01 -1.101856646086E+00 0.000000000000E+00 -2.509885720687E-02 -9.065032939989E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.978467961892E-01 8.542165961621E-01 0.000000000000E+00 -2.403244566820E-01 8.415204770493E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.308768200180E-01 -1.083061830383E+00 0.000000000000E+00 -2.475549019535E-03 -8.930322428043E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.786295368592E-01 8.466175224429E-01 0.000000000000E+00 -2.487062150596E-01 8.360714839051E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.964288896723E-01 -1.064343386519E+00 0.000000000000E+00 1.999367771678E-02 -8.809597486943E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.592935768386E-01 8.389051050646E-01 0.000000000000E+00 -2.570469525959E-01 8.306607033117E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.628527944410E-01 -1.045718471561E+00 0.000000000000E+00 4.224358732801E-02 -8.701584445783E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.398615574923E-01 8.310856331235E-01 0.000000000000E+00 -2.653357986848E-01 8.252862286264E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.301674543349E-01 -1.027202969390E+00 0.000000000000E+00 6.421528142171E-02 -8.605078169894E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.203555655867E-01 8.231653222660E-01 0.000000000000E+00 -2.735621686364E-01 8.199458127835E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.983876868478E-01 -1.008811545653E+00 0.000000000000E+00 8.585586028382E-02 -8.518942125534E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.007971196524E-01 8.151503097055E-01 0.000000000000E+00 -2.817157862878E-01 8.146369247170E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.675245186064E-01 -9.905577024679E-01 0.000000000000E+00 1.071180843431E-01 -8.442107820250E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.812071582033E-01 8.070466496700E-01 0.000000000000E+00 -2.897867033223E-01 8.093568012766E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.375854847917E-01 -9.724538327811E-01 0.000000000000E+00 1.279600386366E-01 -8.373573732088E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.616060296542E-01 7.988603092489E-01 0.000000000000E+00 -2.977653155862E-01 8.041024948477E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.085749155952E-01 -9.545112740514E-01 0.000000000000E+00 1.483448027146E-01 -8.312403823748E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.420134838059E-01 7.905971646128E-01 0.000000000000E+00 -3.056423766739E-01 7.988709168880E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.804942092526E-01 -9.367403610400E-01 0.000000000000E+00 1.682401280116E-01 -8.257725725566E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.224486647754E-01 7.822629975788E-01 0.000000000000E+00 -3.134090090295E-01 7.936588775992E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.533420913269E-01 -9.191504776782E-01 0.000000000000E+00 1.876181243306E-01 -8.208728659747E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.029301052671E-01 7.738634924994E-01 0.000000000000E+00 -3.210567127987E-01 7.884631219482E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.271148601128E-01 -9.017501076785E-01 0.000000000000E+00 2.064549567332E-01 -8.164661167054E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.834757220934E-01 7.654042334536E-01 0.000000000000E+00 -3.285773726416E-01 7.832803622510E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.018066181904E-01 -8.845468838722E-01 0.000000000000E+00 2.247305538311E-01 -8.124828689517E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.641028128620E-01 7.568907017185E-01 0.000000000000E+00 -3.359632627046E-01 7.781073075267E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.740949034189E-02 -8.675476361654E-01 0.000000000000E+00 2.424283281927E-01 -8.088591054201E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.448280537589E-01 7.483282735057E-01 0.000000000000E+00 -3.432070499280E-01 7.729406898243E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.391382812376E-02 -8.507584379449E-01 0.000000000000E+00 2.595349093119E-01 -8.055359895931E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.256674983633E-01 7.397222179456E-01 0.000000000000E+00 -3.503017958541E-01 7.677772877178E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.130840163560E-02 -8.341846509162E-01 0.000000000000E+00 2.760398893693E-01 -8.024596051481E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.066365774385E-01 7.310776953040E-01 0.000000000000E+00 -3.572409570839E-01 7.626139471559E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.580578984552E-03 -8.178309682500E-01 0.000000000000E+00 2.919355818123E-01 -7.995806951454E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.877500996463E-01 7.223997554175E-01 0.000000000000E+00 -3.640183845176E-01 7.574475998488E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.128350609779E-02 -8.017014560861E-01 0.000000000000E+00 3.072167926858E-01 -7.968544032410E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.690222531415E-01 7.136933363364E-01 0.000000000000E+00 -3.706283215027E-01 7.522752793619E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.129879819951E-02 -7.857995932243E-01 0.000000000000E+00 3.218806045799E-01 -7.942400186955E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.504666080023E-01 7.049632631624E-01 0.000000000000E+00 -3.770654010002E-01 7.470941350823E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.048117532744E-02 -7.701283090278E-01 0.000000000000E+00 3.359261729703E-01 -7.917007266915E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.320961194590E-01 6.962142470719E-01 0.000000000000E+00 -3.833246418701E-01 7.419014442118E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.884731440208E-02 -7.546900195717E-01 0.000000000000E+00 3.493545345653E-01 -7.892033651369E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.139231318854E-01 6.874508845140E-01 0.000000000000E+00 -3.894014443691E-01 7.366946219368E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.641456656088E-02 -7.394866619626E-01 0.000000000000E+00 3.621684272230E-01 -7.867181888061E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.959593835164E-01 6.786776565756E-01 0.000000000000E+00 -3.952915849422E-01 7.314712299133E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.032008423979E-01 -7.245197268736E-01 0.000000000000E+00 3.743721212506E-01 -7.842186416182E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.782160118617E-01 6.698989285054E-01 0.000000000000E+00 -4.009912103842E-01 7.262289831995E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.192245072946E-01 -7.097902893461E-01 0.000000000000E+00 3.859712619632E-01 -7.816811377204E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.607035597815E-01 6.611189493879E-01 0.000000000000E+00 -4.064968314406E-01 7.209657557625E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.345042861108E-01 -6.952990378517E-01 0.000000000000E+00 3.969727230473E-01 -7.790848517684E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.434319821948E-01 6.523418519623E-01 0.000000000000E+00 -4.118053159083E-01 7.156795846746E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.490591763795E-01 -6.810463016939E-01 0.000000000000E+00 4.073844701779E-01 -7.764115186321E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.264106533890E-01 6.435716525784E-01 0.000000000000E+00 -4.169138812949E-01 7.103686731125E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.629083700844E-01 -6.670320768463E-01 0.000000000000E+00 4.172154346915E-01 -7.736452427905E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.096483749003E-01 6.348122512828E-01 0.000000000000E+00 -4.218200870870E-01 7.050313922625E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.760711839152E-01 -6.532560502708E-01 0.000000000000E+00 4.264753970801E-01 -7.707723175713E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.315338393588E-02 6.260674320317E-01 0.000000000000E+00 -4.265218266751E-01 6.996662822291E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.885669969544E-01 -6.397176227817E-01 0.000000000000E+00 4.351748796692E-01 -7.677810541526E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.693336230690E-02 6.173408630218E-01 0.000000000000E+00 -4.310173189789E-01 6.942720520413E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.004151950640E-01 -6.264159305649E-01 0.000000000000E+00 4.433250479246E-01 -7.646616201956E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.099544584226E-02 6.086360971359E-01 0.000000000000E+00 -4.353050998126E-01 6.888475788405E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.116351216217E-01 -6.133498654386E-01 0.000000000000E+00 4.509376199883E-01 -7.614058879744E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.534623425383E-02 5.999565724975E-01 0.000000000000E+00 -4.393840130259E-01 6.833919063321E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.222460338223E-01 -6.005180939185E-01 0.000000000000E+00 4.580247838427E-01 -7.580072917181E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.999180142234E-02 5.913056131289E-01 0.000000000000E+00 -4.432532014563E-01 6.779042425759E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.322670637662E-01 -5.879190751653E-01 0.000000000000E+00 4.645991214744E-01 -7.544606938145E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.493770607413E-02 5.826864297088E-01 0.000000000000E+00 -4.469120977219E-01 6.723839571869E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.417171837790E-01 -5.755510779025E-01 0.000000000000E+00 4.706735395005E-01 -7.507622595277E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.890028185773E-04 5.741021204234E-01 0.000000000000E+00 -4.503604148854E-01 6.668305780105E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.506151753748E-01 -5.634121963718E-01 0.000000000000E+00 4.762612057015E-01 -7.469093398276E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.424974648369E-02 5.655556719080E-01 0.000000000000E+00 -4.535981370146E-01 6.612437873357E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.589796013523E-01 -5.515003653788E-01 0.000000000000E+00 4.813754909329E-01 -7.429003619112E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.837446105178E-02 5.570499602733E-01 0.000000000000E+00 -4.566255096662E-01 6.556234177024E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.256022427012E-01 -8.967174779220E-02 0.000000000000E+00 2.588766187769E-01 -2.476068796923E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.913955665282E-01 1.068825730890E-01 0.000000000000E+00 -2.603110292313E-01 2.012563001197E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.995367491746E-01 -7.074382263751E-02 0.000000000000E+00 2.198979996171E-01 -2.030911129267E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.604327068317E-01 8.294384940632E-02 0.000000000000E+00 -2.196433484780E-01 1.627465065248E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.746803540072E-01 -5.555299457765E-02 0.000000000000E+00 1.848103257182E-01 -1.649224912594E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.279617062602E-01 6.369812052725E-02 0.000000000000E+00 -1.823952426473E-01 1.298037352539E-01 GlobalHybrid HF 0.200000 diff --git a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_C-N.skf b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_C-N.skf index b058e1d0..ae20bd49 100644 --- a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_C-N.skf +++ b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_C-N.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 17 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -14,80 +14,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.499709631961E-01 -1.407804825609E+00 0.000000000000E+00 -2.510048745846E-01 -1.126831899443E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.198877710650E-01 8.540221258752E-01 0.000000000000E+00 -1.581415787584E-01 8.356555452289E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.008852700350E-01 -1.382412534970E+00 0.000000000000E+00 -2.199526740669E-01 -1.107682349992E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.997812468949E-01 8.461455950426E-01 0.000000000000E+00 -1.661509452276E-01 8.300725581625E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.529689987448E-01 -1.357092246711E+00 0.000000000000E+00 -1.887780769118E-01 -1.090690459998E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.795074839176E-01 8.381303291264E-01 0.000000000000E+00 -1.742097893211E-01 8.245377470251E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.062684693850E-01 -1.331873731374E+00 0.000000000000E+00 -1.576158689824E-01 -1.075649572727E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.590953946863E-01 8.299843125438E-01 0.000000000000E+00 -1.823025801840E-01 8.190488712626E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.608218156857E-01 -1.306784462535E+00 0.000000000000E+00 -1.265882489580E-01 -1.062364322767E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.385731237420E-01 8.217154294984E-01 0.000000000000E+00 -1.904140537824E-01 8.136031383811E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.166596137006E-01 -1.281849721824E+00 0.000000000000E+00 -9.580547193356E-02 -1.050650804506E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.179680271387E-01 8.133314560523E-01 0.000000000000E+00 -1.985292621255E-01 8.081972974981E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.738054868131E-01 -1.257092703887E+00 0.000000000000E+00 -6.536650556075E-02 -1.040336586807E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.973066554219E-01 8.048400529989E-01 0.000000000000E+00 -2.066336159603E-01 8.028277250052E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.322766851831E-01 -1.232534620460E+00 0.000000000000E+00 -3.535968989159E-02 -1.031260602735E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.766147397098E-01 7.962487594750E-01 0.000000000000E+00 -2.147129215316E-01 7.974905026976E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.920846381198E-01 -1.208194803229E+00 0.000000000000E+00 -5.863393542995E-03 -1.023272938992E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.559171805702E-01 7.875649872517E-01 0.000000000000E+00 -2.227534119615E-01 7.921814887481E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.532354783245E-01 -1.184090804972E+00 0.000000000000E+00 2.305333985374E-02 -1.016234545981E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.352380394179E-01 7.787960156523E-01 0.000000000000E+00 -2.307417737596E-01 7.868963819185E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.157305374049E-01 -1.160238498472E+00 0.000000000000E+00 5.133015978410E-02 -1.010016886243E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.146005321960E-01 7.699489870455E-01 0.000000000000E+00 -2.386651689345E-01 7.816307794010E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.795668124859E-01 -1.136652172828E+00 0.000000000000E+00 7.891479543787E-02 -1.004501536295E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.940270251297E-01 7.610309028704E-01 0.000000000000E+00 -2.465112531375E-01 7.763802286849E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.447374041136E-01 -1.113344626992E+00 0.000000000000E+00 1.057624637450E-01 -9.995797546006E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.735390323723E-01 7.520486201506E-01 0.000000000000E+00 -2.542681902297E-01 7.711402738348E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.112319259529E-01 -1.090327260242E+00 0.000000000000E+00 1.318353010497E-01 -9.951520263076E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.531572153805E-01 7.430088484609E-01 0.000000000000E+00 -2.619246636316E-01 7.659064965583E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.903688701712E-02 -1.067610159349E+00 0.000000000000E+00 1.571018199339E-01 -9.911275936453E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.329013838828E-01 7.339181473111E-01 0.000000000000E+00 -2.694698847749E-01 7.606745524286E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.813604733215E-02 -1.045202182271E+00 0.000000000000E+00 1.815363921589E-01 -9.874239793403E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.127904983165E-01 7.247829239176E-01 0.000000000000E+00 -2.768935989505E-01 7.554402026128E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.851074802691E-02 -1.023111038266E+00 0.000000000000E+00 2.051187582182E-01 -9.839665091175E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.928426736271E-01 7.156094313324E-01 0.000000000000E+00 -2.841860888160E-01 7.501993414432E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.859783096210E-03 -1.001343364382E+00 0.000000000000E+00 2.278335636174E-01 -9.806878382189E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.730751843347E-01 7.064037669067E-01 0.000000000000E+00 -2.913381757987E-01 7.449480201500E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.699814962345E-02 -9.799047982348E-01 0.000000000000E+00 2.496699217688E-01 -9.775274859164E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.535044707834E-01 6.971718710638E-01 0.000000000000E+00 -2.983412196096E-01 7.396824670622E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.292852714334E-02 -9.588000470434E-01 0.000000000000E+00 2.706210030944E-01 -9.744313811922E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.341461464973E-01 6.879195263612E-01 0.000000000000E+00 -3.051871160602E-01 7.343991045617E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.767642499606E-02 -9.380329529798E-01 0.000000000000E+00 2.906836498102E-01 -9.713514221308E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.150150065746E-01 6.786523568233E-01 0.000000000000E+00 -3.118682933561E-01 7.290945630637E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.112684692112E-01 -9.176065548416E-01 0.000000000000E+00 3.098580159820E-01 -9.682450509584E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.961250370568E-01 6.693758275266E-01 0.000000000000E+00 -3.183777070242E-01 7.237656922794E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.337322052708E-01 -8.975231462280E-01 0.000000000000E+00 3.281472321246E-01 -9.650748462424E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.774894252136E-01 6.600952444216E-01 0.000000000000E+00 -3.247088336155E-01 7.184095699993E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.550959196516E-01 -8.777843302313E-01 0.000000000000E+00 3.455570934873E-01 -9.618081333030E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.591205706885E-01 6.508157543776E-01 0.000000000000E+00 -3.308556633109E-01 7.130235086244E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.753884790128E-01 -8.583910709037E-01 0.000000000000E+00 3.620957712608E-01 -9.584166135860E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.410300974541E-01 6.415423454360E-01 0.000000000000E+00 -3.368126915474E-01 7.076050596556E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.946391859265E-01 -8.393437415203E-01 0.000000000000E+00 3.777735456845E-01 -9.548760133736E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.232288665238E-01 6.322798472609E-01 0.000000000000E+00 -3.425749097699E-01 7.021520163365E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.128776497862E-01 -8.206421699263E-01 0.000000000000E+00 3.926025600596E-01 -9.511657519940E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.057269893745E-01 6.230329317742E-01 0.000000000000E+00 -3.481377954055E-01 6.966624146366E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.301336715492E-01 -8.022856810801E-01 0.000000000000E+00 4.065965944492E-01 -9.472686293891E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.853384202950E-02 6.138061139657E-01 0.000000000000E+00 -3.534973011486E-01 6.911345327431E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.464371408557E-01 -7.842731369374E-01 0.000000000000E+00 4.197708578339E-01 -9.431705327070E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.165807975695E-02 6.046037528669E-01 0.000000000000E+00 -3.586498436375E-01 6.855668892221E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.618179440648E-01 -7.666029739804E-01 0.000000000000E+00 4.321417975117E-01 -9.388601614266E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.510765233715E-02 5.954300526809E-01 0.000000000000E+00 -3.635922915978E-01 6.799582399973E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.763058819881E-01 -7.492732384016E-01 0.000000000000E+00 4.437269243840E-01 -9.343287703559E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.888981985235E-02 5.862890640569E-01 0.000000000000E+00 -3.683219535213E-01 6.743075742827E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.899305960721E-01 -7.322816191373E-01 0.000000000000E+00 4.545446529126E-01 -9.295699297630E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.301116895474E-02 5.771846855033E-01 0.000000000000E+00 -3.728365649436E-01 6.686141095966E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.027215019468E-01 -7.156254789791E-01 0.000000000000E+00 4.646141545926E-01 -9.245793018689E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.477629567375E-03 5.681206649291E-01 0.000000000000E+00 -3.771342753806E-01 6.628772859753E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.147077295069E-01 -6.993018837688E-01 0.000000000000E+00 4.739552237659E-01 -9.193544328406E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.705508026197E-03 5.591006013071E-01 0.000000000000E+00 -3.812136349785E-01 6.570967594935E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.259180687675E-01 -6.833076298556E-01 0.000000000000E+00 4.825881548037E-01 -9.138945594615E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.253357574764E-02 5.501279464514E-01 0.000000000000E+00 -3.850735809285E-01 6.512723951928E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.363809209404E-01 -6.676392698838E-01 0.000000000000E+00 4.905336297320E-01 -9.082004296773E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.700250998808E-02 5.412060069005E-01 0.000000000000E+00 -3.887134236955E-01 6.454042595106E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.461242542967E-01 -6.522931371295E-01 0.000000000000E+00 4.978126155119E-01 -9.022741362373E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.110883361384E-02 5.323379459005E-01 0.000000000000E+00 -3.921328331034E-01 6.394926122924E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.551755644448E-01 -6.372653682894E-01 0.000000000000E+00 5.044462702348E-01 -8.961189626391E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.484963775560E-02 5.235267854812E-01 0.000000000000E+00 -3.953318243218E-01 6.335378984673E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.635618387563E-01 -6.225519249351E-01 0.000000000000E+00 5.104558576542E-01 -8.897392406824E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.822256342234E-02 5.147754086174E-01 0.000000000000E+00 -3.983107437920E-01 6.275407394557E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.713095248301E-01 -6.081486136134E-01 0.000000000000E+00 5.158626694224E-01 -8.831402189642E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.122578298032E-02 5.060865614705E-01 0.000000000000E+00 -4.010702551290E-01 6.215019243757E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.385327719867E-01 -8.376675363321E-02 0.000000000000E+00 2.389171365525E-01 -2.382732485867E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.516690162904E-01 8.171730271037E-02 0.000000000000E+00 -2.030862709810E-01 1.612183087232E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.057682402167E-01 -6.462623335249E-02 0.000000000000E+00 1.984604158449E-01 -1.901729152563E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.186341862813E-01 6.191133087953E-02 0.000000000000E+00 -1.674676887709E-01 1.268456159208E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.756483328669E-01 -4.959767584353E-02 0.000000000000E+00 1.630342828745E-01 -1.502026908944E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.861934530822E-01 4.636971032291E-02 0.000000000000E+00 -1.357552608558E-01 9.829733669489E-02 GlobalHybrid HF 0.200000 diff --git a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_N-C.skf b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_N-C.skf index 63c0aa96..1a90f560 100644 --- a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_N-C.skf +++ b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_N-C.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 17 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -14,80 +14,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.499709631961E-01 -1.407804825609E+00 0.000000000000E+00 1.550541298113E-01 -1.126831899443E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.198877710650E-01 8.540221258752E-01 0.000000000000E+00 -2.875941234784E-01 8.356555452289E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.008852700350E-01 -1.382412534970E+00 0.000000000000E+00 1.846719714440E-01 -1.107682349992E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.997812468949E-01 8.461455950426E-01 0.000000000000E+00 -2.976317873632E-01 8.300725581625E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.529689987448E-01 -1.357092246711E+00 0.000000000000E+00 2.139544507595E-01 -1.090690459998E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.795074839176E-01 8.381303291264E-01 0.000000000000E+00 -3.075671899710E-01 8.245377470251E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.062684693850E-01 -1.331873731374E+00 0.000000000000E+00 2.428069346189E-01 -1.075649572727E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.590953946863E-01 8.299843125438E-01 0.000000000000E+00 -3.173872390115E-01 8.190488712626E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.608218156857E-01 -1.306784462535E+00 0.000000000000E+00 2.711452125295E-01 -1.062364322767E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.385731237420E-01 8.217154294984E-01 0.000000000000E+00 -3.270792957787E-01 8.136031383811E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.166596137006E-01 -1.281849721824E+00 0.000000000000E+00 2.988948834058E-01 -1.050650804506E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.179680271387E-01 8.133314560523E-01 0.000000000000E+00 -3.366312077494E-01 8.081972974981E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.738054868131E-01 -1.257092703887E+00 0.000000000000E+00 3.259907411874E-01 -1.040336586807E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.973066554219E-01 8.048400529989E-01 0.000000000000E+00 -3.460313353389E-01 8.028277250052E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.322766851831E-01 -1.232534620460E+00 0.000000000000E+00 3.523761660673E-01 -1.031260602735E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.766147397098E-01 7.962487594750E-01 0.000000000000E+00 -3.552685733560E-01 7.974905026976E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.920846381198E-01 -1.208194803229E+00 0.000000000000E+00 3.780025268718E-01 -1.023272938992E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.559171805702E-01 7.875649872517E-01 0.000000000000E+00 -3.643323676720E-01 7.921814887481E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.532354783245E-01 -1.184090804972E+00 0.000000000000E+00 4.028285990763E-01 -1.016234545981E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.352380394179E-01 7.787960156523E-01 0.000000000000E+00 -3.732127275833E-01 7.868963819185E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.157305374049E-01 -1.160238498472E+00 0.000000000000E+00 4.268200020011E-01 -1.010016886243E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.146005321960E-01 7.699489870455E-01 0.000000000000E+00 -3.819002343166E-01 7.816307794010E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.795668124859E-01 -1.136652172828E+00 0.000000000000E+00 4.499486578785E-01 -1.004501536295E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.940270251297E-01 7.610309028704E-01 0.000000000000E+00 -3.903860460917E-01 7.763802286849E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.447374041136E-01 -1.113344626992E+00 0.000000000000E+00 4.721922747359E-01 -9.995797546006E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.735390323723E-01 7.520486201506E-01 0.000000000000E+00 -3.986619001258E-01 7.711402738348E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.112319259529E-01 -1.090327260242E+00 0.000000000000E+00 4.935338543984E-01 -9.951520263076E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.531572153805E-01 7.430088484609E-01 0.000000000000E+00 -4.067201119280E-01 7.659064965583E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.903688701712E-02 -1.067610159349E+00 0.000000000000E+00 5.139612263679E-01 -9.911275936453E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.329013838828E-01 7.339181473111E-01 0.000000000000E+00 -4.145535722080E-01 7.606745524286E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.813604733215E-02 -1.045202182271E+00 0.000000000000E+00 5.334666078691E-01 -9.874239793403E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.127904983165E-01 7.247829239176E-01 0.000000000000E+00 -4.221557416876E-01 7.554402026128E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.851074802691E-02 -1.023111038266E+00 0.000000000000E+00 5.520461900009E-01 -9.839665091175E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.928426736271E-01 7.156094313324E-01 0.000000000000E+00 -4.295206440825E-01 7.501993414432E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.859783096210E-03 -1.001343364382E+00 0.000000000000E+00 5.696997496575E-01 -9.806878382189E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.730751843347E-01 7.064037669067E-01 0.000000000000E+00 -4.366428574925E-01 7.449480201500E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.699814962345E-02 -9.799047982348E-01 0.000000000000E+00 5.864302865963E-01 -9.775274859164E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.535044707834E-01 6.971718710638E-01 0.000000000000E+00 -4.435175044156E-01 7.396824670622E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.292852714334E-02 -9.588000470434E-01 0.000000000000E+00 6.022436850352E-01 -9.744313811922E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.341461464973E-01 6.879195263612E-01 0.000000000000E+00 -4.501402405821E-01 7.343991045617E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.767642499606E-02 -9.380329529798E-01 0.000000000000E+00 6.171483991755E-01 -9.713514221308E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.150150065746E-01 6.786523568233E-01 0.000000000000E+00 -4.565072427798E-01 7.290945630637E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.112684692112E-01 -9.176065548416E-01 0.000000000000E+00 6.311551616090E-01 -9.682450509584E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.961250370568E-01 6.693758275266E-01 0.000000000000E+00 -4.626151958303E-01 7.237656922794E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.337322052708E-01 -8.975231462280E-01 0.000000000000E+00 6.442767138489E-01 -9.650748462424E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.774894252136E-01 6.600952444216E-01 0.000000000000E+00 -4.684612788514E-01 7.184095699993E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.550959196516E-01 -8.777843302313E-01 0.000000000000E+00 6.565275581137E-01 -9.618081333030E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.591205706885E-01 6.508157543776E-01 0.000000000000E+00 -4.740431509346E-01 7.130235086244E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.753884790128E-01 -8.583910709037E-01 0.000000000000E+00 6.679237293238E-01 -9.584166135860E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.410300974541E-01 6.415423454360E-01 0.000000000000E+00 -4.793589363441E-01 7.076050596556E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.946391859265E-01 -8.393437415203E-01 0.000000000000E+00 6.784825863091E-01 -9.548760133736E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.232288665238E-01 6.322798472609E-01 0.000000000000E+00 -4.844072093403E-01 7.021520163365E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.128776497862E-01 -8.206421699263E-01 0.000000000000E+00 6.882226210923E-01 -9.511657519940E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.057269893745E-01 6.230329317742E-01 0.000000000000E+00 -4.891869787115E-01 6.966624146366E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.301336715492E-01 -8.022856810801E-01 0.000000000000E+00 6.971632851174E-01 -9.472686293891E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.853384202950E-02 6.138061139657E-01 0.000000000000E+00 -4.936976720950E-01 6.911345327431E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.464371408557E-01 -7.842731369374E-01 0.000000000000E+00 7.053248311741E-01 -9.431705327070E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.165807975695E-02 6.046037528669E-01 0.000000000000E+00 -4.979391201548E-01 6.855668892221E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.618179440648E-01 -7.666029739804E-01 0.000000000000E+00 7.127281697446E-01 -9.388601614266E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.510765233715E-02 5.954300526809E-01 0.000000000000E+00 -5.019115406776E-01 6.799582399973E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.763058819881E-01 -7.492732384016E-01 0.000000000000E+00 7.193947386303E-01 -9.343287703559E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.888981985235E-02 5.862890640569E-01 0.000000000000E+00 -5.056155226427E-01 6.743075742827E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.899305960721E-01 -7.322816191373E-01 0.000000000000E+00 7.253463846543E-01 -9.295699297630E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.301116895474E-02 5.771846855033E-01 0.000000000000E+00 -5.090520103117E-01 6.686141095966E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.027215019468E-01 -7.156254789791E-01 0.000000000000E+00 7.306052563308E-01 -9.245793018689E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.477629567375E-03 5.681206649291E-01 0.000000000000E+00 -5.122222873828E-01 6.628772859753E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.147077295069E-01 -6.993018837688E-01 0.000000000000E+00 7.351937065363E-01 -9.193544328406E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.705508026197E-03 5.591006013071E-01 0.000000000000E+00 -5.151279612474E-01 6.570967594935E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.259180687675E-01 -6.833076298556E-01 0.000000000000E+00 7.391342042584E-01 -9.138945594615E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.253357574764E-02 5.501279464514E-01 0.000000000000E+00 -5.177709473807E-01 6.512723951928E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.363809209404E-01 -6.676392698838E-01 0.000000000000E+00 7.424492546381E-01 -9.082004296773E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.700250998808E-02 5.412060069005E-01 0.000000000000E+00 -5.201534538983E-01 6.454042595106E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.461242542967E-01 -6.522931371295E-01 0.000000000000E+00 7.451613265942E-01 -9.022741362373E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.110883361384E-02 5.323379459005E-01 0.000000000000E+00 -5.222779663036E-01 6.394926122924E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.551755644448E-01 -6.372653682894E-01 0.000000000000E+00 7.472927874446E-01 -8.961189626391E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.484963775560E-02 5.235267854812E-01 0.000000000000E+00 -5.241472324499E-01 6.335378984673E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.635618387563E-01 -6.225519249351E-01 0.000000000000E+00 7.488658439668E-01 -8.897392406824E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.822256342234E-02 5.147754086174E-01 0.000000000000E+00 -5.257642477376E-01 6.275407394557E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.713095248301E-01 -6.081486136134E-01 0.000000000000E+00 7.499024894687E-01 -8.831402189642E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.122578298032E-02 5.060865614705E-01 0.000000000000E+00 -5.271322405648E-01 6.215019243757E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.385327719867E-01 -8.376675363321E-02 0.000000000000E+00 2.840347432011E-01 -2.382732485867E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.516690162904E-01 8.171730271037E-02 0.000000000000E+00 -2.293781587194E-01 1.612183087232E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.057682402167E-01 -6.462623335249E-02 0.000000000000E+00 2.341397683067E-01 -1.901729152563E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.186341862813E-01 6.191133087953E-02 0.000000000000E+00 -1.878686339086E-01 1.268456159208E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.756483328669E-01 -4.959767584353E-02 0.000000000000E+00 1.909765669556E-01 -1.502026908944E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.861934530822E-01 4.636971032291E-02 0.000000000000E+00 -1.514084797748E-01 9.829733669489E-02 GlobalHybrid HF 0.200000 diff --git a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_N-N.skf b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_N-N.skf index daa9db7b..62dd0ee0 100644 --- a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_N-N.skf +++ b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/_N-N.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -2.725447457275E-01 -6.400000000000E-01 -2.227885069976E-02 0.000000000000E+00 4.296169317686E-01 4.296169317686E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 +0.200000 17 + 0.000000000000E+00 -2.725447457370E-01 -6.400000000000E-01 -2.227885069971E-02 0.000000000000E+00 4.296169345186E-01 4.296169345186E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 1.400700000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -15,80 +15,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.513830126424E-01 -1.676939419260E+00 0.000000000000E+00 5.464825761799E-02 -1.340628456988E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.779962733466E-01 8.457774438375E-01 0.000000000000E+00 -2.491001891901E-01 8.394645231493E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.887720387846E-01 -1.642682473765E+00 0.000000000000E+00 9.420323868044E-02 -1.321329456194E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.556239548434E-01 8.367788259385E-01 0.000000000000E+00 -2.588843615927E-01 8.333510629348E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.280524127791E-01 -1.608640690513E+00 0.000000000000E+00 1.331773218900E-01 -1.304355796930E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.331470612983E-01 8.276417618551E-01 0.000000000000E+00 -2.685905881998E-01 8.272857695048E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.692656847614E-01 -1.574852537731E+00 0.000000000000E+00 1.714375880696E-01 -1.289438965631E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.105999006627E-01 8.183761914374E-01 0.000000000000E+00 -2.782017862842E-01 8.212643949920E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.124420010337E-01 -1.541352969198E+00 0.000000000000E+00 2.088678063313E-01 -1.276329048696E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.880156017489E-01 8.089918768978E-01 0.000000000000E+00 -2.877015385349E-01 8.152822396725E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.576011660375E-01 -1.508173619982E+00 0.000000000000E+00 2.453672734850E-01 -1.264794457162E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.654261002934E-01 7.994983942891E-01 0.000000000000E+00 -2.970741307313E-01 8.093342622178E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.047536457162E-01 -1.475342998702E+00 0.000000000000E+00 2.808496747633E-01 -1.254621479816E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.428621293022E-01 7.899051260750E-01 0.000000000000E+00 -3.063045813917E-01 8.034151786986E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.539015109480E-01 -1.442886675322E+00 0.000000000000E+00 3.152419758807E-01 -1.245613704251E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.203532131914E-01 7.802212546976E-01 0.000000000000E+00 -3.153786642667E-01 7.975195510366E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.050393207611E-01 -1.410827463656E+00 0.000000000000E+00 3.484833541309E-01 -1.237591339001E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.979276653028E-01 7.704557570512E-01 0.000000000000E+00 -3.242829244801E-01 7.916418655997E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.581549459177E-01 -1.379185597919E+00 0.000000000000E+00 3.805241742141E-01 -1.230390464384E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.756125884295E-01 7.606173997822E-01 0.000000000000E+00 -3.330046890471E-01 7.857766026280E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.132303341510E-01 -1.347978902759E+00 0.000000000000E+00 4.113250127568E-01 -1.223862234974E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.534338780392E-01 7.507147353413E-01 0.000000000000E+00 -3.415320724370E-01 7.799182971602E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.024221885365E-02 -1.317222956354E+00 0.000000000000E+00 4.408557340348E-01 -1.217872052611E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.314162279245E-01 7.407560987222E-01 0.000000000000E+00 -3.498539777789E-01 7.740615921097E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.916277333784E-02 -1.286931246231E+00 0.000000000000E+00 4.690946182250E-01 -1.212298725410E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.095831380495E-01 7.307496048271E-01 0.000000000000E+00 -3.579600942556E-01 7.682012841104E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.003978705292E-02 -1.257115317594E+00 0.000000000000E+00 4.960275425856E-01 -1.207033625306E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.879569243913E-01 7.207031464064E-01 0.000000000000E+00 -3.658408911696E-01 7.623323627244E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.740065267134E-02 -1.227784914023E+00 0.000000000000E+00 5.216472152600E-01 -1.201979854203E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.665587306042E-01 7.106243925233E-01 0.000000000000E+00 -3.734876091183E-01 7.564500435741E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.295791486305E-02 -1.198948110504E+00 0.000000000000E+00 5.459524608974E-01 -1.197051426762E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.454085413545E-01 7.005207875017E-01 0.000000000000E+00 -3.808922486678E-01 7.505497959291E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.167521065965E-01 -1.170611438866E+00 0.000000000000E+00 5.689475569124E-01 -1.192172476118E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.245251971942E-01 6.903995503181E-01 0.000000000000E+00 -3.880475568706E-01 7.446273652458E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.488257861742E-01 -1.142780005742E+00 0.000000000000E+00 5.906416189269E-01 -1.187276487405E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.039264108549E-01 6.802676744024E-01 0.000000000000E+00 -3.949470119379E-01 7.386787911287E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.792231617002E-01 -1.115457603279E+00 0.000000000000E+00 6.110480337093E-01 -1.182305562755E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.836287848554E-01 6.701319278177E-01 0.000000000000E+00 -4.015848063388E-01 7.327004211514E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.079897538206E-01 -1.088646812883E+00 0.000000000000E+00 6.301839377087E-01 -1.177209720426E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.636478303280E-01 6.599988537895E-01 0.000000000000E+00 -4.079558285711E-01 7.266889209443E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.351720940782E-01 -1.062349102308E+00 0.000000000000E+00 6.480697390725E-01 -1.171946229791E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.439979869716E-01 6.498747715594E-01 0.000000000000E+00 -4.140556438198E-01 7.206412809301E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.608174559798E-01 -1.036564916462E+00 0.000000000000E+00 6.647286808222E-01 -1.166478983212E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.246926440492E-01 6.397657775399E-01 0.000000000000E+00 -4.198804736938E-01 7.145548200596E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.849736157274E-01 -1.011293762287E+00 0.000000000000E+00 6.801864426657E-01 -1.160777905072E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.057441623501E-01 6.296777467497E-01 0.000000000000E+00 -4.254271752122E-01 7.084271868748E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.076886396039E-01 -9.865342881110E-01 0.000000000000E+00 6.944707787883E-01 -1.154818397745E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.716389703854E-02 6.196163345084E-01 0.000000000000E+00 -4.306932191905E-01 7.022563582027E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.290106952086E-01 -9.622843578038E-01 0.000000000000E+00 7.076111888925E-01 -1.148580823792E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.896222131592E-02 6.095869783746E-01 0.000000000000E+00 -4.356766681609E-01 6.960406357578E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.489878829227E-01 -9.385411201220E-01 0.000000000000E+00 7.196386198915E-01 -1.142050023226E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.114855082336E-02 5.995949003093E-01 0.000000000000E+00 -4.403761539459E-01 6.897786409126E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.676680858304E-01 -9.153010735479E-01 0.000000000000E+00 7.305851955695E-01 -1.135214864576E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.373136871269E-02 5.896451090490E-01 0.000000000000E+00 -4.447908549914E-01 6.834693078726E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.850988358832E-01 -8.925601269277E-01 0.000000000000E+00 7.404839717497E-01 -1.128067828255E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.671825131567E-02 5.797424026748E-01 0.000000000000E+00 -4.489204735531E-01 6.771118754727E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.013271941738E-01 -8.703136562053E-01 0.000000000000E+00 7.493687147565E-01 -1.120604620600E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.158943417267E-04 5.698913713622E-01 0.000000000000E+00 -4.527652128225E-01 6.707058777964E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.163996437825E-01 -8.485565574679E-01 0.000000000000E+00 7.572737011470E-01 -1.112823816897E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.606986046478E-02 5.600964003004E-01 0.000000000000E+00 -4.563257540653E-01 6.642511337986E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.303619942144E-01 -8.272832965584E-01 0.000000000000E+00 7.642335368616E-01 -1.104726531855E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.183399827590E-02 5.503616727660E-01 0.000000000000E+00 -4.596032338417E-01 6.577477361006E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.432592963908E-01 -8.064879554685E-01 0.000000000000E+00 7.702829942069E-01 -1.096316115912E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.717230380698E-02 5.406911733417E-01 0.000000000000E+00 -4.625992213678E-01 6.511960391079E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.551357674411E-01 -7.861642756696E-01 0.000000000000E+00 7.754568652562E-01 -1.087597875843E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.208133368554E-02 5.310886912661E-01 0.000000000000E+00 -4.653156960729E-01 6.445966465895E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.660347246879E-01 -7.663056985667E-01 0.000000000000E+00 7.797898304142E-01 -1.078578818245E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.655838862662E-02 5.215578239059E-01 0.000000000000E+00 -4.677550254007E-01 6.379503988447E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.759985283019E-01 -7.469054032531E-01 0.000000000000E+00 7.833163410283E-01 -1.069267414472E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.060148547839E-02 5.121019803373E-01 0.000000000000E+00 -4.699199428985E-01 6.312583595694E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.850685321807E-01 -7.279563416836E-01 0.000000000000E+00 7.860705150267E-01 -1.059673385744E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.042093291997E-01 5.027243850281E-01 0.000000000000E+00 -4.718135266329E-01 6.245218025252E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.932850426078E-01 -7.094512714024E-01 0.000000000000E+00 7.880860446568E-01 -1.049807507141E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.173812848295E-01 4.934280816097E-01 0.000000000000E+00 -4.734391779676E-01 6.177421981021E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.006872842615E-01 -6.913827859604E-01 0.000000000000E+00 7.893961154585E-01 -1.039681429291E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.301173495069E-01 4.842159367293E-01 0.000000000000E+00 -4.748006007332E-01 6.109211998585E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.073133731335E-01 -6.737433431542E-01 0.000000000000E+00 7.900333356621E-01 -1.029307516606E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.424181245969E-01 4.750906439730E-01 0.000000000000E+00 -4.759017808195E-01 6.040606311103E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.132002959252E-01 -6.565252911787E-01 0.000000000000E+00 7.900296752390E-01 -1.018698700958E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.542847879758E-01 4.660547278504E-01 0.000000000000E+00 -4.767469662116E-01 5.971624716347E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.398534554916E-01 -7.422262637971E-02 0.000000000000E+00 2.475351290484E-01 -2.140419370030E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.152088904773E-01 6.154360459691E-02 0.000000000000E+00 -1.756356470075E-01 1.248197230168E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.010969347871E-01 -5.580074594826E-02 0.000000000000E+00 1.987851838413E-01 -1.655244073453E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.812238646371E-01 4.531820634133E-02 0.000000000000E+00 -1.399129083938E-01 9.493842597522E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.668348208848E-01 -4.170162975821E-02 0.000000000000E+00 1.578712051191E-01 -1.265853940311E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.497058014860E-01 3.293389905912E-02 0.000000000000E+00 -1.095037371491E-01 7.096486230961E-02 GlobalHybrid HF 0.200000 diff --git a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/skdef.hsd b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/skdef.hsd index 0c02cba0..88d4b37d 100644 --- a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/skdef.hsd +++ b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/skdef.hsd @@ -95,10 +95,10 @@ OnecenterParameters { TwoCenterParameters { $EqGrid = EquidistantGrid { - GridStart = 0.6 - GridSeparation = 0.02 + GridStart = 3.0 + GridSeparation = 0.2 Tolerance = 5e-5 - MaxDistance = -1.4 + MaxDistance = -3.5 } $SkTwocnt_300_150 = Sktwocnt { diff --git a/test/prog/sktable/HYB-PBE0/Non-Relativistic/_C-C.skf b/test/prog/sktable/HYB-PBE0/Non-Relativistic/_C-C.skf index f69c1dd9..74e0c69f 100644 --- a/test/prog/sktable/HYB-PBE0/Non-Relativistic/_C-C.skf +++ b/test/prog/sktable/HYB-PBE0/Non-Relativistic/_C-C.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -1.813114916604E-01 -6.127543641857E-01 -9.570533223604E-02 0.000000000000E+00 3.516710536763E-01 3.516710536763E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 +0.200000 20 + 0.000000000000E+00 -1.813114916163E-01 -6.127543641262E-01 -9.570533223583E-02 0.000000000000E+00 3.516710512437E-01 3.516710512437E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 1.201000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -18,77 +18,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.365081765595E-01 -1.189956898755E+00 0.000000000000E+00 -8.468833503294E-02 -1.106394539280E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.789503650454E-01 8.856739557866E-01 0.000000000000E+00 -2.103265250064E-01 8.642644948408E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.985703157462E-01 -1.171474886570E+00 0.000000000000E+00 -6.188950540745E-02 -1.085092142910E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.606813123627E-01 8.787114215007E-01 0.000000000000E+00 -2.187780905864E-01 8.586352274261E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.612839406889E-01 -1.152975044679E+00 0.000000000000E+00 -3.892081704844E-02 -1.065753224276E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.421897239087E-01 8.716095976303E-01 0.000000000000E+00 -2.272303231406E-01 8.530446883662E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.246930825021E-01 -1.134479414074E+00 0.000000000000E+00 -1.587418531557E-02 -1.048227057965E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.234995716926E-01 8.643747676102E-01 0.000000000000E+00 -2.356718849112E-01 8.474931827347E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.888362800765E-01 -1.116008619695E+00 0.000000000000E+00 7.165841459232E-03 -1.032368554049E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.046344033690E-01 8.570131745242E-01 0.000000000000E+00 -2.440915871224E-01 8.419804023357E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.537469165291E-01 -1.097581921251E+00 0.000000000000E+00 3.012179207419E-02 -1.018038683441E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.856173196818E-01 8.495310144175E-01 0.000000000000E+00 -2.524784271057E-01 8.365054998132E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.194535427481E-01 -1.079217265235E+00 0.000000000000E+00 5.292296580738E-02 -1.005104773191E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.664709542905E-01 8.419344301299E-01 0.000000000000E+00 -2.608216210260E-01 8.310671578555E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.859802042165E-01 -1.060931338094E+00 0.000000000000E+00 7.550511585206E-02 -9.934406971729E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.472174557594E-01 8.342295056140E-01 0.000000000000E+00 -2.691106325547E-01 8.256636536089E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.533467492609E-01 -1.042739619668E+00 0.000000000000E+00 9.781012554425E-02 -9.829269736232E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.278784715117E-01 8.264222607023E-01 0.000000000000E+00 -2.773351978220E-01 8.202929184436E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.215691321956E-01 -1.024656437007E+00 0.000000000000E+00 1.197856825724E-01 -9.734507887802E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.084751335777E-01 8.185186462918E-01 0.000000000000E+00 -2.854853469652E-01 8.149525932414E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.906597039112E-01 -1.006695018054E+00 0.000000000000E+00 1.413849539098E-01 -9.649059576953E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.890280459833E-01 8.105245399153E-01 0.000000000000E+00 -2.935514225692E-01 8.096400793849E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.606274904135E-01 -9.888675449926E-01 0.000000000000E+00 1.625662643813E-01 -9.571928337474E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.695572736462E-01 8.024457416715E-01 0.000000000000E+00 -3.015240952793E-01 8.043525856398E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.314784586710E-01 -9.711852070015E-01 0.000000000000E+00 1.832927811773E-01 -9.502181764832E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.500823326643E-01 7.942879704893E-01 0.000000000000E+00 -3.093943768427E-01 7.990871711302E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.032157694207E-01 -9.536582521357E-01 0.000000000000E+00 2.035322061731E-01 -9.438949860256E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.306221818952E-01 7.860568607024E-01 0.000000000000E+00 -3.171536308203E-01 7.938407846037E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.758400168617E-01 -9.362960380022E-01 0.000000000000E+00 2.232564774882E-01 -9.381423111076E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.111952157417E-01 7.777579589141E-01 0.000000000000E+00 -3.247935811876E-01 7.886103001877E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.493494554184E-01 -9.191070810415E-01 0.000000000000E+00 2.424414813200E-01 -9.328850368177E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.918192580659E-01 7.693967211314E-01 0.000000000000E+00 -3.323063190285E-01 7.833925498336E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.237402139759E-01 -9.020991042356E-01 0.000000000000E+00 2.610667747240E-01 -9.280536572249E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.725115571704E-01 7.609785101533E-01 0.000000000000E+00 -3.396843075051E-01 7.781843526410E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.900649813809E-02 -8.852790830117E-01 0.000000000000E+00 2.791153196806E-01 -9.235840371902E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.532887817886E-01 7.525085931964E-01 0.000000000000E+00 -3.469203852732E-01 7.729825412522E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.514078112728E-02 -8.686532891171E-01 0.000000000000E+00 2.965732285314E-01 -9.194171669459E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.341670180368E-01 7.439921397432E-01 0.000000000000E+00 -3.540077684964E-01 7.677839854963E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.213398390462E-02 -8.522273322896E-01 0.000000000000E+00 3.134295206870E-01 -9.154989124203E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.151617672853E-01 7.354342196017E-01 0.000000000000E+00 -3.609400515971E-01 7.625856134620E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.997564495800E-02 -8.360061995937E-01 0.000000000000E+00 3.296758904280E-01 -9.117797637825E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.962879449119E-01 7.268398011644E-01 0.000000000000E+00 -3.677112068706E-01 7.573844301645E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.654079989448E-03 -8.199942923512E-01 0.000000000000E+00 3.453064856270E-01 -9.082145842890E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.775598799028E-01 7.182137498550E-01 0.000000000000E+00 -3.743155830762E-01 7.521775339715E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.184346851779E-02 -8.041954606686E-01 0.000000000000E+00 3.603176973212E-01 -9.047623612238E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.589913152727E-01 7.095608267561E-01 0.000000000000E+00 -3.807479031079E-01 7.469621309403E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.153069211149E-02 -7.886130356479E-01 0.000000000000E+00 3.747079602121E-01 -9.013859605388E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.405954092739E-01 7.008856874058E-01 0.000000000000E+00 -3.870032608366E-01 7.417355472145E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.042208797212E-02 -7.732498594556E-01 0.000000000000E+00 3.884775643290E-01 -8.980518866705E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.223847373694E-01 6.921928807594E-01 0.000000000000E+00 -3.930771172098E-01 7.364952396211E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.853284172102E-02 -7.581083134964E-01 0.000000000000E+00 4.016284781977E-01 -8.947300489113E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.043712949442E-01 6.834868483057E-01 0.000000000000E+00 -3.989652956823E-01 7.312388045992E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.587872169955E-02 -7.431903449834E-01 0.000000000000E+00 4.141641838701E-01 -8.913935355977E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.865665007298E-01 6.747719233332E-01 0.000000000000E+00 -4.046639770478E-01 7.259639855882E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.024759846943E-01 -7.284974922028E-01 0.000000000000E+00 4.260895240678E-01 -8.880183972152E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.689812009176E-01 6.660523303400E-01 0.000000000000E+00 -4.101696937327E-01 7.206686789948E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.183412927016E-01 -7.140309087472E-01 0.000000000000E+00 4.374105614833E-01 -8.845834393002E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.516256739377E-01 6.573321845809E-01 0.000000000000E+00 -4.154793236088E-01 7.153509388511E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.334916399222E-01 -6.997913869299E-01 0.000000000000E+00 4.481344499962E-01 -8.810700257408E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.345096358765E-01 6.486154917471E-01 0.000000000000E+00 -4.205900833766E-01 7.100089802709E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.479442888350E-01 -6.857793804091E-01 0.000000000000E+00 4.582693172454E-01 -8.774618927041E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.176422465094E-01 6.399061477742E-01 0.000000000000E+00 -4.254995215637E-01 7.046411818059E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.617167139718E-01 -6.719950259986E-01 0.000000000000E+00 4.678241577278E-01 -8.737449731187E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.010321159234E-01 6.312079387714E-01 0.000000000000E+00 -4.302055111840E-01 6.992460867951E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.748265519325E-01 -6.584381651053E-01 0.000000000000E+00 4.768087354469E-01 -8.699072317391E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.468731170216E-02 6.225245410703E-01 0.000000000000E+00 -4.347062420935E-01 6.938224037983E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.872915562151E-01 -6.451083643442E-01 0.000000000000E+00 4.852334949591E-01 -8.659385100845E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.861536664713E-02 6.138595213867E-01 0.000000000000E+00 -4.390002130815E-01 6.883690061975E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.991295555994E-01 -6.320049349790E-01 0.000000000000E+00 4.931094796566E-01 -8.618303804287E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.282328700872E-02 6.052163370919E-01 0.000000000000E+00 -4.430862237275E-01 6.828849310443E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.103584150631E-01 -6.191269521706E-01 0.000000000000E+00 5.004482563387E-01 -8.575760088528E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.731756119806E-02 5.965983365894E-01 0.000000000000E+00 -4.469633660571E-01 6.773693772290E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.209959984580E-01 -6.064732729063E-01 0.000000000000E+00 5.072618450600E-01 -8.531700260749E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.210416895206E-02 5.880087597931E-01 0.000000000000E+00 -4.506310160233E-01 6.718217030401E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.310601324627E-01 -5.940425527945E-01 0.000000000000E+00 5.135626535217E-01 -8.486084055459E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.188590922800E-03 5.794507387023E-01 0.000000000000E+00 -4.540888248400E-01 6.662414231792E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.405685715801E-01 -5.818332622915E-01 0.000000000000E+00 5.193634154915E-01 -8.438883486433E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.424181337705E-03 5.709272980701E-01 0.000000000000E+00 -4.573367101943E-01 6.606282052934E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.495389641466E-01 -5.698437020126E-01 0.000000000000E+00 5.246771328204E-01 -8.390081763066E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.172963502656E-02 5.624413561609E-01 0.000000000000E+00 -4.603748473573E-01 6.549818660802E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.613294772596E-01 -4.676308320680E-02 0.000000000000E+00 1.697262952307E-01 -1.478961068187E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.996592656583E-01 4.937145659831E-02 0.000000000000E+00 -1.501972432585E-01 1.004955673901E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.388709861288E-01 -3.639137385829E-02 0.000000000000E+00 1.398398998143E-01 -1.176394850715E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.687812602656E-01 3.708664228157E-02 0.000000000000E+00 -1.208696562484E-01 7.773242742221E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.183023070816E-01 -2.813674356221E-02 0.000000000000E+00 1.140529806705E-01 -9.267114153932E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.404149446948E-01 2.751410703501E-02 0.000000000000E+00 -9.579554169696E-02 5.925284604508E-02 GlobalHybrid HF 0.350000 diff --git a/test/prog/sktable/HYB-PBE0/Non-Relativistic/_C-N.skf b/test/prog/sktable/HYB-PBE0/Non-Relativistic/_C-N.skf index 7a4ccc11..982a31f7 100644 --- a/test/prog/sktable/HYB-PBE0/Non-Relativistic/_C-N.skf +++ b/test/prog/sktable/HYB-PBE0/Non-Relativistic/_C-N.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 20 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -17,77 +17,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.833982846685E-01 -1.435734492577E+00 0.000000000000E+00 -2.210805094232E-01 -1.266910014458E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.249365699999E-01 8.556203218388E-01 0.000000000000E+00 -1.608239951384E-01 8.357493401769E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.343183134143E-01 -1.410665975270E+00 0.000000000000E+00 -1.896012757317E-01 -1.246765317967E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.050412282508E-01 8.478585324529E-01 0.000000000000E+00 -1.688275052500E-01 8.301443193638E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.863391801802E-01 -1.385650001543E+00 0.000000000000E+00 -1.579926604717E-01 -1.228776970893E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.849688262346E-01 8.399572843477E-01 0.000000000000E+00 -1.768780676471E-01 8.245857031631E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.395082471672E-01 -1.360715729744E+00 0.000000000000E+00 -1.263882644315E-01 -1.212739928099E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.647476504288E-01 8.319243204566E-01 0.000000000000E+00 -1.849605519401E-01 8.190714511374E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.938650507384E-01 -1.335890125001E+00 0.000000000000E+00 -9.490945641897E-02 -1.198460113130E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.444052837549E-01 8.237672944436E-01 0.000000000000E+00 -1.930600749128E-01 8.135989659253E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.494418943178E-01 -1.311198061832E+00 0.000000000000E+00 -6.366599085761E-02 -1.185754615285E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.239685845875E-01 8.154937630476E-01 0.000000000000E+00 -2.011620482901E-01 8.081651850685E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.062644179455E-01 -1.286662426768E+00 0.000000000000E+00 -3.275663664779E-02 -1.174451732766E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.034636688950E-01 8.071111791621E-01 0.000000000000E+00 -2.092522203036E-01 8.027666652665E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.643521426424E-01 -1.262304220282E+00 0.000000000000E+00 -2.269808797378E-03 -1.164390890613E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.829158951940E-01 7.986268855949E-01 0.000000000000E+00 -2.173167116224E-01 7.973996593880E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.237189881340E-01 -1.238142657393E+00 0.000000000000E+00 2.771580418208E-02 -1.155422457782E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.623498520374E-01 7.900481094494E-01 0.000000000000E+00 -2.253420461790E-01 7.920601865909E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.843737637713E-01 -1.214195266306E+00 0.000000000000E+00 5.713062264676E-02 -1.147407484092E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.417893477951E-01 7.813819570808E-01 0.000000000000E+00 -2.333151773734E-01 7.867440959165E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.463206326334E-01 -1.190477984690E+00 0.000000000000E+00 8.591357245145E-02 -1.140217374581E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.212574025153E-01 7.726354095788E-01 0.000000000000E+00 -2.412235101055E-01 7.814471237263E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.095595479117E-01 -1.167005253008E+00 0.000000000000E+00 1.140114993803E-01 -1.133733516080E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.007762416849E-01 7.638153187369E-01 0.000000000000E+00 -2.490549190397E-01 7.761649453501E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.740866637069E-01 -1.143790104350E+00 0.000000000000E+00 1.413786034710E-01 -1.127846868335E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.803672917320E-01 7.549284034697E-01 0.000000000000E+00 -2.567977634726E-01 7.708932213108E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.398947196936E-01 -1.120844250605E+00 0.000000000000E+00 1.679758952117E-01 -1.122457530075E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.600511771339E-01 7.459812466447E-01 0.000000000000E+00 -2.644408991388E-01 7.656276384789E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.069734019791E-01 -1.098178164305E+00 0.000000000000E+00 1.937706741833E-01 -1.117474288469E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.398477190166E-01 7.369802922973E-01 0.000000000000E+00 -2.719736872580E-01 7.603639465041E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.530968063651E-02 -1.075801156156E+00 0.000000000000E+00 2.187360308375E-01 -1.112814159067E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.197759351424E-01 7.279318432018E-01 0.000000000000E+00 -2.793860010942E-01 7.550979898532E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.488812511055E-02 -1.053721447916E+00 0.000000000000E+00 2.428503724228E-01 -1.108401922144E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.998540411998E-01 7.188420587731E-01 0.000000000000E+00 -2.866682302743E-01 7.498257357760E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.569119465299E-02 -1.031946240739E+00 0.000000000000E+00 2.660969717389E-01 -1.104169660205E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.800994533185E-01 7.097169532769E-01 0.000000000000E+00 -2.938112830858E-01 7.445432985010E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.230049345068E-02 -1.010481779003E+00 0.000000000000E+00 2.884635404701E-01 -1.100056301017E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.605287917428E-01 7.005623943283E-01 0.000000000000E+00 -3.008065869524E-01 7.392469599518E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.910791670742E-02 -9.893334100957E-01 0.000000000000E+00 3.099418283270E-01 -1.096007169973E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.411578856023E-01 6.913841016607E-01 0.000000000000E+00 -3.076460872654E-01 7.339331872581E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.475342548282E-02 -9.685056404556E-01 0.000000000000E+00 3.305272464362E-01 -1.091973554725E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.220017787257E-01 6.821876461474E-01 0.000000000000E+00 -3.143222447333E-01 7.285986473221E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.926054338870E-02 -9.480021884989E-01 0.000000000000E+00 3.502185166347E-01 -1.087912285023E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.030747364470E-01 6.729784490638E-01 0.000000000000E+00 -3.208280313919E-01 7.232402186846E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.126537891658E-01 -9.278260347948E-01 0.000000000000E+00 3.690173465875E-01 -1.083785329954E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.843902533576E-01 6.637617815730E-01 0.000000000000E+00 -3.271569254084E-01 7.178550009230E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.349585186578E-01 -9.079794699974E-01 0.000000000000E+00 3.869281301466E-01 -1.079559414169E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.659610619588E-01 6.545427644257E-01 0.000000000000E+00 -3.333029047960E-01 7.124403217968E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.562007845787E-01 -8.884641408021E-01 0.000000000000E+00 4.039576719549E-01 -1.075205654036E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.477991421713E-01 6.453263678611E-01 0.000000000000E+00 -3.392604401483E-01 7.069937423477E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.764072117175E-01 -8.692810940587E-01 0.000000000000E+00 4.201149346748E-01 -1.070699214119E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.299157316604E-01 6.361174116992E-01 0.000000000000E+00 -3.450244864910E-01 7.015130601415E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.956048846993E-01 -8.504308191403E-01 0.000000000000E+00 4.354108069967E-01 -1.066018983726E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.123213369334E-01 6.269205656144E-01 0.000000000000E+00 -3.505904743399E-01 6.959963108343E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.138212457198E-01 -8.319132885200E-01 0.000000000000E+00 4.498578903424E-01 -1.061147272839E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.502574516933E-02 6.177403495818E-01 0.000000000000E+00 -3.559543000493E-01 6.904417682279E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.310840002733E-01 -8.137279965012E-01 0.000000000000E+00 4.634703020720E-01 -1.056069526577E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.803803673784E-02 6.085811344868E-01 0.000000000000E+00 -3.611123155253E-01 6.848479429715E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.474210289893E-01 -7.958739960698E-01 0.000000000000E+00 4.762634933287E-01 -1.050774057071E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.136659836631E-02 5.994471428907E-01 0.000000000000E+00 -3.660613173747E-01 6.792135800548E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.628603044390E-01 -7.783499338329E-01 0.000000000000E+00 4.882540798450E-01 -1.045251791680E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.501913691242E-02 5.903424499445E-01 0.000000000000E+00 -3.707985355552E-01 6.735376552274E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.774298123013E-01 -7.611540830483E-01 0.000000000000E+00 4.994596843328E-01 -1.039496036575E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.900269370000E-02 5.812709844429E-01 0.000000000000E+00 -3.753216215862E-01 6.678193704708E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.911574763673E-01 -7.442843747921E-01 0.000000000000E+00 5.098987894867E-01 -1.033502254748E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.332365937527E-02 5.722365300122E-01 0.000000000000E+00 -3.796286363793E-01 6.620581486395E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.040710877139E-01 -7.277384273257E-01 0.000000000000E+00 5.195906008558E-01 -1.027267857756E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.012210759320E-03 5.632427264241E-01 0.000000000000E+00 -3.837180377387E-01 6.562536273788E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.161982383529E-01 -7.115135737313E-01 0.000000000000E+00 5.285549190883E-01 -1.020792010569E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.699978097687E-02 5.542930710299E-01 0.000000000000E+00 -3.875886675840E-01 6.504056524195E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.275662593503E-01 -6.956068879091E-01 0.000000000000E+00 5.368120212995E-01 -1.014075448969E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.163451896624E-02 5.453909203081E-01 0.000000000000E+00 -3.912397389414E-01 6.445142703420E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.382021641364E-01 -6.800152090329E-01 0.000000000000E+00 5.443825512857E-01 -1.007120309118E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.591247932368E-02 5.365394915181E-01 0.000000000000E+00 -3.946708227465E-01 6.385797208947E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.481325969532E-01 -6.647351645351E-01 0.000000000000E+00 5.512874184309E-01 -9.999299688322E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.983028673824E-02 5.277418644553E-01 0.000000000000E+00 -3.978818345030E-01 6.326024289451E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.573837866690E-01 -6.497631916529E-01 0.000000000000E+00 5.575477050411E-01 -9.925089001492E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.338511891334E-02 5.190009833003E-01 0.000000000000E+00 -4.008730208346E-01 6.265829961347E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.659815059621E-01 -6.350955576751E-01 0.000000000000E+00 5.631845819250E-01 -9.848625328265E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.657468926566E-02 5.103196585562E-01 0.000000000000E+00 -4.036449459677E-01 6.205221923052E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.598086106448E-01 -4.121621029300E-02 0.000000000000E+00 1.465917121807E-01 -1.299610761722E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.581290422648E-01 3.480034358371E-02 0.000000000000E+00 -1.083088102806E-01 7.353197336217E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.339989808670E-01 -3.131421264213E-02 0.000000000000E+00 1.179363995278E-01 -1.004350517675E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.300584791213E-01 2.539852607010E-02 0.000000000000E+00 -8.477797739917E-02 5.502245996291E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.111818467423E-01 -2.362107213395E-02 0.000000000000E+00 9.387677083199E-02 -7.680800987833E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.052472142457E-01 1.825996663003E-02 0.000000000000E+00 -6.522035385369E-02 4.046850782221E-02 GlobalHybrid HF 0.350000 diff --git a/test/prog/sktable/HYB-PBE0/Non-Relativistic/_N-C.skf b/test/prog/sktable/HYB-PBE0/Non-Relativistic/_N-C.skf index 4f919463..cbf28a04 100644 --- a/test/prog/sktable/HYB-PBE0/Non-Relativistic/_N-C.skf +++ b/test/prog/sktable/HYB-PBE0/Non-Relativistic/_N-C.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 20 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -17,77 +17,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.833982846685E-01 -1.435734492577E+00 0.000000000000E+00 1.955304533912E-01 -1.266910014458E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.249365699999E-01 8.556203218388E-01 0.000000000000E+00 -2.909290696443E-01 8.357493401769E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.343183134143E-01 -1.410665975270E+00 0.000000000000E+00 2.257787119067E-01 -1.246765317967E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.050412282508E-01 8.478585324529E-01 0.000000000000E+00 -3.009864535161E-01 8.301443193638E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.863391801802E-01 -1.385650001543E+00 0.000000000000E+00 2.556814104125E-01 -1.228776970893E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.849688262346E-01 8.399572843477E-01 0.000000000000E+00 -3.109384889923E-01 8.245857031631E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.395082471672E-01 -1.360715729744E+00 0.000000000000E+00 2.851452439477E-01 -1.212739928099E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.647476504288E-01 8.319243204566E-01 0.000000000000E+00 -3.207724216382E-01 8.190714511374E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.938650507384E-01 -1.335890125001E+00 0.000000000000E+00 3.140870681946E-01 -1.198460113130E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.444052837549E-01 8.237672944436E-01 0.000000000000E+00 -3.304759390369E-01 8.135989659253E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.494418943178E-01 -1.311198061832E+00 0.000000000000E+00 3.424333023196E-01 -1.185754615285E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.239685845875E-01 8.154937630476E-01 0.000000000000E+00 -3.400372019010E-01 8.081651850685E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.062644179455E-01 -1.286662426768E+00 0.000000000000E+00 3.701193319337E-01 -1.174451732766E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.034636688950E-01 8.071111791621E-01 0.000000000000E+00 -3.494448695691E-01 8.027666652665E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.643521426424E-01 -1.262304220282E+00 0.000000000000E+00 3.970889187007E-01 -1.164390890613E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.829158951940E-01 7.986268855949E-01 0.000000000000E+00 -3.586881204145E-01 7.973996593880E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.237189881340E-01 -1.238142657393E+00 0.000000000000E+00 4.232936218617E-01 -1.155422457782E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.623498520374E-01 7.900481094494E-01 0.000000000000E+00 -3.677566676688E-01 7.920601865909E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.843737637713E-01 -1.214195266306E+00 0.000000000000E+00 4.486922359927E-01 -1.147407484092E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.417893477951E-01 7.813819570808E-01 0.000000000000E+00 -3.766407711287E-01 7.867440959165E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.463206326334E-01 -1.190477984690E+00 0.000000000000E+00 4.732502481159E-01 -1.140217374581E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.212574025153E-01 7.726354095788E-01 0.000000000000E+00 -3.853312451806E-01 7.814471237263E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.095595479117E-01 -1.167005253008E+00 0.000000000000E+00 4.969393161131E-01 -1.133733516080E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.007762416849E-01 7.638153187369E-01 0.000000000000E+00 -3.938194635477E-01 7.761649453501E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.740866637069E-01 -1.143790104350E+00 0.000000000000E+00 5.197367702225E-01 -1.127846868335E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.803672917320E-01 7.549284034697E-01 0.000000000000E+00 -4.020973611280E-01 7.708932213108E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.398947196936E-01 -1.120844250605E+00 0.000000000000E+00 5.416251379135E-01 -1.122457530075E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.600511771339E-01 7.459812466447E-01 0.000000000000E+00 -4.101574332627E-01 7.656276384789E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.069734019791E-01 -1.098178164305E+00 0.000000000000E+00 5.625916928451E-01 -1.117474288469E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.398477190166E-01 7.369802922973E-01 0.000000000000E+00 -4.179927327436E-01 7.603639465041E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.530968063651E-02 -1.075801156156E+00 0.000000000000E+00 5.826280277222E-01 -1.112814159067E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.197759351424E-01 7.279318432018E-01 0.000000000000E+00 -4.255968648396E-01 7.550979898532E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.488812511055E-02 -1.053721447916E+00 0.000000000000E+00 6.017296504379E-01 -1.108401922144E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.998540411998E-01 7.188420587731E-01 0.000000000000E+00 -4.329639805949E-01 7.498257357760E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.569119465299E-02 -1.031946240739E+00 0.000000000000E+00 6.198956043672E-01 -1.104169660205E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.800994533185E-01 7.097169532769E-01 0.000000000000E+00 -4.400887686283E-01 7.445432985010E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.230049345068E-02 -1.010481779003E+00 0.000000000000E+00 6.371281120689E-01 -1.100056301017E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.605287917428E-01 7.005623943283E-01 0.000000000000E+00 -4.469664456372E-01 7.392469599518E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.910791670742E-02 -9.893334100957E-01 0.000000000000E+00 6.534322421876E-01 -1.096007169973E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.411578856023E-01 6.913841016607E-01 0.000000000000E+00 -4.535927457915E-01 7.339331872581E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.475342548282E-02 -9.685056404556E-01 0.000000000000E+00 6.688156009470E-01 -1.091973554725E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.220017787257E-01 6.821876461474E-01 0.000000000000E+00 -4.599639091810E-01 7.285986473221E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.926054338870E-02 -9.480021884989E-01 0.000000000000E+00 6.832880475935E-01 -1.087912285023E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.030747364470E-01 6.729784490638E-01 0.000000000000E+00 -4.660766694631E-01 7.232402186846E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.126537891658E-01 -9.278260347948E-01 0.000000000000E+00 6.968614336355E-01 -1.083785329954E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.843902533576E-01 6.637617815730E-01 0.000000000000E+00 -4.719282408419E-01 7.178550009230E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.349585186578E-01 -9.079794699974E-01 0.000000000000E+00 7.095493652704E-01 -1.079559414169E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.659610619588E-01 6.545427644257E-01 0.000000000000E+00 -4.775163044938E-01 7.124403217968E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.562007845787E-01 -8.884641408021E-01 0.000000000000E+00 7.213669877950E-01 -1.075205654036E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.477991421713E-01 6.453263678611E-01 0.000000000000E+00 -4.828389945440E-01 7.069937423477E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.764072117175E-01 -8.692810940587E-01 0.000000000000E+00 7.323307903965E-01 -1.070699214119E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.299157316604E-01 6.361174116992E-01 0.000000000000E+00 -4.878948836840E-01 7.015130601415E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.956048846993E-01 -8.504308191403E-01 0.000000000000E+00 7.424584293281E-01 -1.066018983726E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.123213369334E-01 6.269205656144E-01 0.000000000000E+00 -4.926829685122E-01 6.959963108343E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.138212457198E-01 -8.319132885200E-01 0.000000000000E+00 7.517685673466E-01 -1.061147272839E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.502574516933E-02 6.177403495818E-01 0.000000000000E+00 -4.972026546688E-01 6.904417682279E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.310840002733E-01 -8.137279965012E-01 0.000000000000E+00 7.602807273729E-01 -1.056069526577E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.803803673784E-02 6.085811344868E-01 0.000000000000E+00 -5.014537418286E-01 6.848479429715E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.474210289893E-01 -7.958739960698E-01 0.000000000000E+00 7.680151584360E-01 -1.050774057071E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.136659836631E-02 5.994471428907E-01 0.000000000000E+00 -5.054364086080E-01 6.792135800548E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.628603044390E-01 -7.783499338329E-01 0.000000000000E+00 7.749927122656E-01 -1.045251791680E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.501913691242E-02 5.903424499445E-01 0.000000000000E+00 -5.091511974355E-01 6.735376552274E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.774298123013E-01 -7.611540830483E-01 0.000000000000E+00 7.812347292379E-01 -1.039496036575E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.900269370000E-02 5.812709844429E-01 0.000000000000E+00 -5.125989994304E-01 6.678193704708E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.911574763673E-01 -7.442843747921E-01 0.000000000000E+00 7.867629326887E-01 -1.033502254748E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.332365937527E-02 5.722365300122E-01 0.000000000000E+00 -5.157810393280E-01 6.620581486395E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.040710877139E-01 -7.277384273257E-01 0.000000000000E+00 7.915993308688E-01 -1.027267857756E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.012210759320E-03 5.632427264241E-01 0.000000000000E+00 -5.186988604867E-01 6.562536273788E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.161982383529E-01 -7.115135737313E-01 0.000000000000E+00 7.957661260642E-01 -1.020792010569E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.699978097687E-02 5.542930710299E-01 0.000000000000E+00 -5.213543100067E-01 6.504056524195E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.275662593503E-01 -6.956068879091E-01 0.000000000000E+00 7.992856305762E-01 -1.014075448969E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.163451896624E-02 5.453909203081E-01 0.000000000000E+00 -5.237495239884E-01 6.445142703420E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.382021641364E-01 -6.800152090329E-01 0.000000000000E+00 8.021801893301E-01 -1.007120309118E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.591247932368E-02 5.365394915181E-01 0.000000000000E+00 -5.258869129536E-01 6.385797208947E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.481325969532E-01 -6.647351645351E-01 0.000000000000E+00 8.044721089696E-01 -9.999299688322E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.983028673824E-02 5.277418644553E-01 0.000000000000E+00 -5.277691474529E-01 6.326024289451E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.573837866690E-01 -6.497631916529E-01 0.000000000000E+00 8.061835933062E-01 -9.925089001492E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.338511891334E-02 5.190009833003E-01 0.000000000000E+00 -5.293991438761E-01 6.265829961347E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.659815059621E-01 -6.350955576751E-01 0.000000000000E+00 8.073366848899E-01 -9.848625328265E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.657468926566E-02 5.103196585562E-01 0.000000000000E+00 -5.307800504845E-01 6.205221923052E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.598086106448E-01 -4.121621029300E-02 0.000000000000E+00 1.694817234966E-01 -1.299610761722E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.581290422648E-01 3.480034358371E-02 0.000000000000E+00 -1.206704112631E-01 7.353197336217E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.339989808670E-01 -3.131421264213E-02 0.000000000000E+00 1.354701908883E-01 -1.004350517675E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.300584791213E-01 2.539852607010E-02 0.000000000000E+00 -9.408171312909E-02 5.502245996291E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.111818467423E-01 -2.362107213395E-02 0.000000000000E+00 1.071346785653E-01 -7.680800987833E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.052472142457E-01 1.825996663003E-02 0.000000000000E+00 -7.212712127355E-02 4.046850782221E-02 GlobalHybrid HF 0.350000 diff --git a/test/prog/sktable/HYB-PBE0/Non-Relativistic/_N-N.skf b/test/prog/sktable/HYB-PBE0/Non-Relativistic/_N-N.skf index ea4f632b..672b6adf 100644 --- a/test/prog/sktable/HYB-PBE0/Non-Relativistic/_N-N.skf +++ b/test/prog/sktable/HYB-PBE0/Non-Relativistic/_N-N.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -2.728117352687E-01 -6.400000000000E-01 -3.003582004087E-02 0.000000000000E+00 4.273856562495E-01 4.273856562495E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 +0.200000 20 + 0.000000000000E+00 -2.728117352825E-01 -6.400000000000E-01 -3.003582004056E-02 0.000000000000E+00 4.273856560428E-01 4.273856560428E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 1.400700000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -18,77 +18,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.960950750264E-01 -1.721876707237E+00 0.000000000000E+00 9.671725514361E-02 -1.496484662647E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.829425685432E-01 8.478755212021E-01 0.000000000000E+00 -2.519572956058E-01 8.394698611729E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.328621357107E-01 -1.687760645027E+00 0.000000000000E+00 1.370543619803E-01 -1.475919809703E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.607134187811E-01 8.389711214247E-01 0.000000000000E+00 -2.617478139981E-01 8.333218156255E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.714380854986E-01 -1.653831200188E+00 0.000000000000E+00 1.768097637029E-01 -1.457688498979E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.383679437571E-01 8.299266784559E-01 0.000000000000E+00 -2.714582547877E-01 8.272208364159E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.118679280935E-01 -1.620126596476E+00 0.000000000000E+00 2.158507796371E-01 -1.441522843802E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.159400287025E-01 8.207519146651E-01 0.000000000000E+00 -2.810718769266E-01 8.211628821730E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.541856263833E-01 -1.586681686378E+00 0.000000000000E+00 2.540610769399E-01 -1.427173219451E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.934624542006E-01 8.114563890383E-01 0.000000000000E+00 -2.905725820137E-01 8.151434473752E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.984151060235E-01 -1.553528142639E+00 0.000000000000E+00 2.913395484737E-01 -1.414408032495E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.709668800683E-01 8.020494887162E-01 0.000000000000E+00 -2.999449511440E-01 8.091576715472E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.445712023008E-01 -1.520694646066E+00 0.000000000000E+00 3.275992125546E-01 -1.403013317199E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.484838332108E-01 7.925404215523E-01 0.000000000000E+00 -3.091742740463E-01 8.032004375516E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.926605500650E-01 -1.488207068393E+00 0.000000000000E+00 3.627661437623E-01 -1.392792198114E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.260426990125E-01 7.829382095979E-01 0.000000000000E+00 -3.182465713489E-01 7.972664596310E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.426824176802E-01 -1.456088649124E+00 0.000000000000E+00 3.967784415439E-01 -1.383564251435E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.036717158837E-01 7.732516834309E-01 0.000000000000E+00 -3.271486107442E-01 7.913503618562E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.946294864549E-01 -1.424360165388E+00 0.000000000000E+00 4.295852411994E-01 -1.375164792185E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.813979726431E-01 7.634894772555E-01 0.000000000000E+00 -3.358679177548E-01 7.854467476321E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.484885773821E-01 -1.393040093953E+00 0.000000000000E+00 4.611457701181E-01 -1.367444109511E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.592474084590E-01 7.536600247025E-01 0.000000000000E+00 -3.443927817391E-01 7.795502608970E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.042413270915E-01 -1.362144764712E+00 0.000000000000E+00 4.914284508863E-01 -1.360266668345E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.372448151162E-01 7.437715552731E-01 0.000000000000E+00 -3.527122577103E-01 7.736556396306E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.186481453592E-02 -1.331688505185E+00 0.000000000000E+00 5.204100521266E-01 -1.353510292387E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.154138414067E-01 7.338320913692E-01 0.000000000000E+00 -3.608161644877E-01 7.677577622631E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.133213930226E-02 -1.301683775848E+00 0.000000000000E+00 5.480748876174E-01 -1.347065340792E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.937769994761E-01 7.238494458638E-01 0.000000000000E+00 -3.686950796422E-01 7.618516875503E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.738704813985E-02 -1.272141296478E+00 0.000000000000E+00 5.744140642549E-01 -1.340833888906E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.723556729769E-01 7.138312201675E-01 0.000000000000E+00 -3.763403316529E-01 7.559326884524E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.432606417404E-02 -1.243070164046E+00 0.000000000000E+00 5.994247795403E-01 -1.334728921923E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.511701269021E-01 7.037848027528E-01 0.000000000000E+00 -3.837439896413E-01 7.499962805266E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.952075737273E-02 -1.214477962984E+00 0.000000000000E+00 6.231096692443E-01 -1.328673549007E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.302395189875E-01 6.937173681026E-01 0.000000000000E+00 -3.908988510154E-01 7.440382453109E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.230091201634E-01 -1.186370868807E+00 0.000000000000E+00 6.454762055434E-01 -1.322600244230E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.095819125848E-01 6.836358760502E-01 0.000000000000E+00 -3.977984273120E-01 7.380546491533E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.548309442832E-01 -1.158753746091E+00 0.000000000000E+00 6.665361451535E-01 -1.316450119356E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.892142909134E-01 6.735470714854E-01 0.000000000000E+00 -4.044369285006E-01 7.320418579075E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.850275161413E-01 -1.131630241591E+00 0.000000000000E+00 6.863050259416E-01 -1.310172232054E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.691525726108E-01 6.634574844004E-01 0.000000000000E+00 -4.108092459750E-01 7.259965478923E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.136413471621E-01 -1.105002873080E+00 0.000000000000E+00 7.048017093801E-01 -1.303722931650E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.494116285030E-01 6.533734302539E-01 0.000000000000E+00 -4.169109344405E-01 7.199157134831E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.407159336597E-01 -1.078873114178E+00 0.000000000000E+00 7.220479652715E-01 -1.297065243123E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.300052995224E-01 6.433010106321E-01 0.000000000000E+00 -4.227381928742E-01 7.137966716809E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.662955408727E-01 -1.053241475268E+00 0.000000000000E+00 7.380680945997E-01 -1.290168288902E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.109464157006E-01 6.332461141886E-01 0.000000000000E+00 -4.282878447215E-01 7.076370639772E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.904250063817E-01 -1.028107580444E+00 0.000000000000E+00 7.528885861987E-01 -1.283006747211E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.224681616806E-02 6.232144178461E-01 0.000000000000E+00 -4.335573174704E-01 7.014348558137E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.131495590526E-01 -1.003470240433E+00 0.000000000000E+00 7.665378031567E-01 -1.275560345190E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.391737009082E-02 6.132113882438E-01 0.000000000000E+00 -4.385446217308E-01 6.951883339100E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.345146507137E-01 -9.793275214553E-01 0.000000000000E+00 7.790456953544E-01 -1.267813384855E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.596799847587E-02 6.032422834145E-01 0.000000000000E+00 -4.432483299323E-01 6.888961017150E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.545657988024E-01 -9.556768100372E-01 0.000000000000E+00 7.904435351694E-01 -1.259754299984E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.840769677708E-02 5.933121546806E-01 0.000000000000E+00 -4.476675547402E-01 6.825570732154E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.733484390830E-01 -9.325148738884E-01 0.000000000000E+00 8.007636740303E-01 -1.251375242167E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.124455823275E-02 5.834258487514E-01 0.000000000000E+00 -4.518019272818E-01 6.761704653202E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.909077882000E-01 -9.098379189745E-01 0.000000000000E+00 8.100393180961E-01 -1.242671694494E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.485797866225E-03 5.735880100136E-01 0.000000000000E+00 -4.556515752628E-01 6.697357890163E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.072887162456E-01 -8.876416429547E-01 0.000000000000E+00 8.183043218162E-01 -1.233642111555E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.186222291931E-02 5.638030829994E-01 0.000000000000E+00 -4.592171010460E-01 6.632528394821E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.225356297027E-01 -8.659212851914E-01 0.000000000000E+00 8.255929984712E-01 -1.224287584635E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.779397122054E-02 5.540753150228E-01 0.000000000000E+00 -4.624995597595E-01 6.567216853234E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.366923651399E-01 -8.446716735233E-01 0.000000000000E+00 8.319399470072E-01 -1.214611531079E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.330471705676E-02 5.444087589723E-01 0.000000000000E+00 -4.655004374910E-01 6.501426570861E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.498020939163E-01 -8.238872679746E-01 0.000000000000E+00 8.373798945721E-01 -1.204619406914E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.839050740376E-02 5.348072762488E-01 0.000000000000E+00 -4.682216296237E-01 6.435163351846E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.619072379486E-01 -8.035622015731E-01 0.000000000000E+00 8.419475541785E-01 -1.194318441794E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.304813990612E-02 5.252745398386E-01 0.000000000000E+00 -4.706654193606E-01 6.368435373739E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.730493963710E-01 -7.836903184514E-01 0.000000000000E+00 8.456774968766E-01 -1.183717395354E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.727513633429E-02 5.158140375112E-01 0.000000000000E+00 -4.728344564807E-01 6.301253058789E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.832692827058E-01 -7.642652093784E-01 0.000000000000E+00 8.486040377520E-01 -1.172826333976E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.010697158517E-01 5.064290751320E-01 0.000000000000E+00 -4.747317363680E-01 6.233628942879E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.926066719934E-01 -7.452802448512E-01 0.000000000000E+00 8.507611349928E-01 -1.161656426977E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.144307681554E-01 4.971227800794E-01 0.000000000000E+00 -4.763605793470E-01 6.165577543013E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.011003572023E-01 -7.267286058747E-01 0.000000000000E+00 8.521823012131E-01 -1.150219761132E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.273578265527E-01 4.878981047576E-01 0.000000000000E+00 -4.777246103595E-01 6.097115224224E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.087881141655E-01 -7.086033125582E-01 0.000000000000E+00 8.529005261801E-01 -1.138529172472E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.398510410327E-01 4.787578301960E-01 0.000000000000E+00 -4.788277390086E-01 6.028260066657E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.157066742618E-01 -6.908972506525E-01 0.000000000000E+00 8.529482100788E-01 -1.126598094227E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.519111513925E-01 4.697045697245E-01 0.000000000000E+00 -4.796741400007E-01 5.959031733489E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.484665909590E-01 -3.397110940153E-02 0.000000000000E+00 1.366608109025E-01 -1.055516608917E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.227547013722E-01 2.375771620947E-02 0.000000000000E+00 -8.395558850122E-02 5.078817991652E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.209103581738E-01 -2.510220854089E-02 0.000000000000E+00 1.062285028097E-01 -7.886320157188E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.786072787960E-02 1.671819390588E-02 0.000000000000E+00 -6.322003113303E-02 3.638309998039E-02 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.742748840751E-02 -1.839742419209E-02 0.000000000000E+00 8.162721617047E-02 -5.823775769877E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.669650026162E-02 1.153359045484E-02 0.000000000000E+00 -4.664177240158E-02 2.548739158560E-02 GlobalHybrid HF 0.350000 diff --git a/test/prog/sktable/HYB-PBE0/Non-Relativistic/skdef.hsd b/test/prog/sktable/HYB-PBE0/Non-Relativistic/skdef.hsd index 50decfa5..60370439 100644 --- a/test/prog/sktable/HYB-PBE0/Non-Relativistic/skdef.hsd +++ b/test/prog/sktable/HYB-PBE0/Non-Relativistic/skdef.hsd @@ -95,10 +95,10 @@ OnecenterParameters { TwoCenterParameters { $EqGrid = EquidistantGrid { - GridStart = 0.6 - GridSeparation = 0.02 + GridStart = 3.6 + GridSeparation = 0.2 Tolerance = 5e-5 - MaxDistance = -1.4 + MaxDistance = -4.1 } $SkTwocnt_300_150 = Sktwocnt { diff --git a/test/prog/sktable/LCY-BNL/Non-Relativistic/_N-N.skf b/test/prog/sktable/LCY-BNL/Non-Relativistic/_N-N.skf index ba91c1ff..249f8edd 100644 --- a/test/prog/sktable/LCY-BNL/Non-Relativistic/_N-N.skf +++ b/test/prog/sktable/LCY-BNL/Non-Relativistic/_N-N.skf @@ -1,94 +1,12 @@ -0.020000 69 - 0.000000000000E+00 -2.669685730009E-01 -6.400000000000E-01 -3.175220535120E-02 0.000000000000E+00 4.223164023475E-01 4.223164023475E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 +0.200000 7 + 0.000000000000E+00 -2.669685730154E-01 -6.400000000000E-01 -3.175220534932E-02 0.000000000000E+00 4.223164018340E-01 4.223164018340E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 1.400700000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.666758682400E-01 -1.708638836567E+00 0.000000000000E+00 6.185278486526E-02 -1.446505627435E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.782694356461E-01 8.458739863399E-01 0.000000000000E+00 -2.455582034209E-01 8.402432951447E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.033433355118E-01 -1.674150987635E+00 0.000000000000E+00 1.020864773209E-01 -1.426781129294E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.559218433119E-01 8.368814576771E-01 0.000000000000E+00 -2.553106509632E-01 8.341536493306E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.419356731473E-01 -1.639870548887E+00 0.000000000000E+00 1.417621523994E-01 -1.409372413017E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.334722988034E-01 8.277509158249E-01 0.000000000000E+00 -2.649928858541E-01 8.281103295339E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.824959834175E-01 -1.605837356713E+00 0.000000000000E+00 1.807427421901E-01 -1.394012077760E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.109551157926E-01 8.184923410097E-01 0.000000000000E+00 -2.745876016568E-01 8.221089027374E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.250553418387E-01 -1.572087658412E+00 0.000000000000E+00 2.189080007500E-01 -1.380451108281E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.884033586254E-01 8.091155302158E-01 0.000000000000E+00 -2.840781148786E-01 8.161445071175E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.696339099930E-01 -1.538654301556E+00 0.000000000000E+00 2.561534063155E-01 -1.368458652859E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.658488254564E-01 7.996300874124E-01 0.000000000000E+00 -2.934484101823E-01 8.102119656841E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.162419984936E-01 -1.505566922514E+00 0.000000000000E+00 2.923890689411E-01 -1.357821620615E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.433220372873E-01 7.900454150234E-01 0.000000000000E+00 -3.026831774558E-01 8.043058878577E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.648810759883E-01 -1.472852132728E+00 0.000000000000E+00 3.275386546282E-01 -1.348344137987E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.208522323734E-01 7.803707065593E-01 0.000000000000E+00 -3.117678414443E-01 7.984207596809E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.155447211047E-01 -1.440533701406E+00 0.000000000000E+00 3.615383350371E-01 -1.339846897875E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.984673654909E-01 7.706149403288E-01 0.000000000000E+00 -3.206885846062E-01 7.925510233874E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.682195151736E-01 -1.408632733435E+00 0.000000000000E+00 3.943357701188E-01 -1.332166429771E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.761941115938E-01 7.607868741575E-01 0.000000000000E+00 -3.294323638211E-01 7.866911470614E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.228858744023E-01 -1.377167841407E+00 0.000000000000E+00 4.258891294534E-01 -1.325154314535E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.540578734131E-01 7.508950410401E-01 0.000000000000E+00 -3.379869215370E-01 7.808356851157E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.951882089008E-02 -1.346155310778E+00 0.000000000000E+00 4.561661567531E-01 -1.318676363658E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.320827925863E-01 7.409477456572E-01 0.000000000000E+00 -3.463407919067E-01 7.749793303077E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.808869247480E-02 -1.315609257416E+00 0.000000000000E+00 4.851432808930E-01 -1.312611779441E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.102917639264E-01 7.309530616944E-01 0.000000000000E+00 -3.544833024286E-01 7.691169579890E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.438208073841E-03 -1.285541777011E+00 0.000000000000E+00 5.128047759591E-01 -1.306852309791E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.887064524709E-01 7.209188298988E-01 0.000000000000E+00 -3.624045715719E-01 7.632436632622E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.909902346932E-02 -1.255963086171E+00 0.000000000000E+00 5.391419721165E-01 -1.301301408975E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.673473129739E-01 7.108526568175E-01 0.000000000000E+00 -3.700955028301E-01 7.573547916878E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.493381024861E-02 -1.226881655366E+00 0.000000000000E+00 5.641525184915E-01 -1.295873413713E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.462336115297E-01 7.007619141607E-01 0.000000000000E+00 -3.775477756184E-01 7.514459641518E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.089850625397E-01 -1.198304334186E+00 0.000000000000E+00 5.878396986220E-01 -1.290492742326E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.253834490391E-01 6.906537387395E-01 0.000000000000E+00 -3.847538333958E-01 7.455130964707E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.412972877963E-01 -1.170236469577E+00 0.000000000000E+00 6.102117982706E-01 -1.285093123052E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.048137862528E-01 6.805350329274E-01 0.000000000000E+00 -3.917068693659E-01 7.395524142753E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.719166300605E-01 -1.142682017788E+00 0.000000000000E+00 6.312815244948E-01 -1.279616856154E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.845404701462E-01 6.704124656004E-01 0.000000000000E+00 -3.984008100830E-01 7.335604636800E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.008905355276E-01 -1.115643650693E+00 0.000000000000E+00 6.510654739108E-01 -1.274014112922E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.645782614012E-01 6.602924735120E-01 0.000000000000E+00 -4.048302972595E-01 7.275341182067E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.282674547811E-01 -1.089122856949E+00 0.000000000000E+00 6.695836472199E-01 -1.268242273286E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.449408627889E-01 6.501812630620E-01 0.000000000000E+00 -4.109906680529E-01 7.214705824001E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.540965761481E-01 -1.063120038294E+00 0.000000000000E+00 6.868590064349E-01 -1.262265302506E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.256409482671E-01 6.400848124209E-01 0.000000000000E+00 -4.168779340798E-01 7.153673925363E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.784275851555E-01 -1.037634601068E+00 0.000000000000E+00 7.029170709363E-01 -1.256053166422E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.066901926208E-01 6.300088739749E-01 0.000000000000E+00 -4.224887593873E-01 7.092224147925E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.013104459296E-01 -1.012665042974E+00 0.000000000000E+00 7.177855485226E-01 -1.249581284071E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.809930149309E-02 6.199589770562E-01 0.000000000000E+00 -4.278204375894E-01 7.030338412176E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.227952013792E-01 -9.882090350224E-01 0.000000000000E+00 7.314939979219E-01 -1.242830016082E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.987804166748E-02 6.099404309298E-01 0.000000000000E+00 -4.328708683574E-01 6.968001838095E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.429317899772E-01 -9.642634986547E-01 0.000000000000E+00 7.440735197032E-01 -1.235784187097E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.203527147735E-02 5.999583280051E-01 0.000000000000E+00 -4.376385334340E-01 6.905202669814E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.617698777898E-01 -9.408246780701E-01 0.000000000000E+00 7.555564730588E-01 -1.228432640503E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.457897123181E-02 5.900175472481E-01 0.000000000000E+00 -4.421224723252E-01 6.841932186681E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.793587050221E-01 -9.178882078551E-01 0.000000000000E+00 7.659762164361E-01 -1.220767823831E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.751627355932E-02 5.801227577664E-01 0.000000000000E+00 -4.463222578082E-01 6.778184603034E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.957469467554E-01 -8.954491760633E-01 0.000000000000E+00 7.753668704258E-01 -1.212785403348E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.534935824165E-04 5.702784225459E-01 0.000000000000E+00 -4.502379713773E-01 6.713956958719E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.109825877523E-01 -8.735021829338E-01 0.000000000000E+00 7.837631016337E-01 -1.204483906491E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.540384115276E-02 5.604888023167E-01 0.000000000000E+00 -4.538701787389E-01 6.649249002205E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.251128112452E-01 -8.520413954626E-01 0.000000000000E+00 7.911999264773E-01 -1.195864390912E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.125096105859E-02 5.507579595288E-01 0.000000000000E+00 -4.572199054507E-01 6.584063067943E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.381839015432E-01 -8.310605980487E-01 0.000000000000E+00 7.977125339647E-01 -1.186930138944E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.668382525699E-02 5.410897624194E-01 0.000000000000E+00 -4.602886127929E-01 6.518403949414E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.502411601433E-01 -8.105532394418E-01 0.000000000000E+00 8.033361265504E-01 -1.177686376371E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.169909274855E-02 5.314878891545E-01 0.000000000000E+00 -4.630781739444E-01 6.452278769175E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.613288348498E-01 -7.905124762080E-01 0.000000000000E+00 8.081057781548E-01 -1.168140014350E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.629409404141E-02 5.219558320312E-01 0.000000000000E+00 -4.655908505298E-01 6.385696847033E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.714900612296E-01 -7.709312129265E-01 0.000000000000E+00 8.120563083884E-01 -1.158299413337E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.046680327484E-02 5.124969017244E-01 0.000000000000E+00 -4.678292695928E-01 6.318669567345E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.807668155797E-01 -7.518021393152E-01 0.000000000000E+00 8.152221719765E-01 -1.148174167820E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.042158108661E-01 5.031142315669E-01 0.000000000000E+00 -4.697964010447E-01 6.251210246328E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.891998784790E-01 -7.331177644772E-01 0.000000000000E+00 8.176373623369E-01 -1.137774910675E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.175402967042E-01 4.938107818506E-01 0.000000000000E+00 -4.714955356274E-01 6.183334000119E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.968288079354E-01 -7.148704484460E-01 0.000000000000E+00 8.193353282397E-01 -1.127113135893E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.304400039085E-01 4.845893441386E-01 0.000000000000E+00 -4.729302634254E-01 6.115057614259E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.036919211267E-01 -6.970524312012E-01 0.000000000000E+00 8.203489024730E-01 -1.116201038467E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.429152131664E-01 4.754525455784E-01 0.000000000000E+00 -4.741044529539E-01 6.046399415138E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.098262837552E-01 -6.796558593160E-01 0.000000000000E+00 8.207102414602E-01 -1.105051370223E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.549667176609E-01 4.664028532072E-01 0.000000000000E+00 -4.750222308451E-01 5.977379143898E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.282674547774E-01 -1.089122856916E+00 0.000000000000E+00 6.695836471919E-01 -1.268242273246E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.449408627893E-01 6.501812630622E-01 0.000000000000E+00 -4.109906680520E-01 7.214705824008E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.251128112329E-01 -8.520413954364E-01 0.000000000000E+00 7.911999264484E-01 -1.195864390877E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.125096105836E-02 5.507579595291E-01 0.000000000000E+00 -4.572199054495E-01 6.584063067956E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.152677060754E-01 -6.626728103672E-01 0.000000000000E+00 8.204507747816E-01 -1.093677310375E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.665957985938E-01 4.574425782434E-01 0.000000000000E+00 -4.756879621483E-01 5.908017833195E-01 RangeSep LC 0.300000 diff --git a/test/prog/sktable/LCY-BNL/Non-Relativistic/_N-O.skf b/test/prog/sktable/LCY-BNL/Non-Relativistic/_N-O.skf index 69f0251e..bddf8b89 100644 --- a/test/prog/sktable/LCY-BNL/Non-Relativistic/_N-O.skf +++ b/test/prog/sktable/LCY-BNL/Non-Relativistic/_N-O.skf @@ -1,93 +1,11 @@ -0.020000 69 +0.200000 7 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.215352598174E-01 -1.866966874788E+00 0.000000000000E+00 -3.022307947473E-02 -1.572125314802E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.449582157941E-01 8.290853298410E-01 0.000000000000E+00 -2.184487113395E-01 8.271733432491E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.501859567977E-01 -1.825787106659E+00 0.000000000000E+00 1.919589175647E-02 -1.555477952560E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.217936792707E-01 8.195464654485E-01 0.000000000000E+00 -2.282452315733E-01 8.212051214191E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.814339497060E-01 -1.784992447262E+00 0.000000000000E+00 6.769253833728E-02 -1.541000252619E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.985927459151E-01 8.098792231122E-01 0.000000000000E+00 -2.379886940673E-01 8.152740046926E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.153006569788E-01 -1.744626637657E+00 0.000000000000E+00 1.151040267929E-01 -1.528381604116E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.753916563878E-01 8.000947238439E-01 0.000000000000E+00 -2.476580683244E-01 8.093732523818E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.517935965283E-01 -1.704728723514E+00 0.000000000000E+00 1.612909193171E-01 -1.517337870641E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.522250166016E-01 7.902038221700E-01 0.000000000000E+00 -2.572332125861E-01 8.034959222503E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.909079595510E-01 -1.665333357618E+00 0.000000000000E+00 2.061353272504E-01 -1.507610389102E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.291257982707E-01 7.802170974845E-01 0.000000000000E+00 -2.666949216222E-01 7.976349887076E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.326280775469E-01 -1.626471093482E+00 0.000000000000E+00 2.495391165802E-01 -1.498964811449E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.061253461586E-01 7.701448469537E-01 0.000000000000E+00 -2.760249636337E-01 7.917834455781E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.769287807959E-01 -1.588168668092E+00 0.000000000000E+00 2.914221793143E-01 -1.491189837721E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.832533912680E-01 7.599970798490E-01 0.000000000000E+00 -2.852061073275E-01 7.859343946209E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.237766480250E-01 -1.550449272217E+00 0.000000000000E+00 3.317207813449E-01 -1.484095880284E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.605380692726E-01 7.497835131923E-01 0.000000000000E+00 -2.942221401575E-01 7.800811209646E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.313114826130E-02 -1.513332807144E+00 0.000000000000E+00 3.703859947455E-01 -1.477513691967E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.380059435404E-01 7.395135686039E-01 0.000000000000E+00 -3.030578786647E-01 7.742171565870E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.494567704857E-02 -1.476836127320E+00 0.000000000000E+00 4.073822202650E-01 -1.471292984787E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.156820321480E-01 7.291963702501E-01 0.000000000000E+00 -3.116991717835E-01 7.683363329363E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.083150953030E-02 -1.440973268935E+00 0.000000000000E+00 4.426858039258E-01 -1.465301061002E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.935898383324E-01 7.188407437928E-01 0.000000000000E+00 -3.201328979210E-01 7.624328237330E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.425645813313E-02 -1.405755665063E+00 0.000000000000E+00 4.762837498846E-01 -1.459421473963E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.717513838714E-01 7.084552162505E-01 0.000000000000E+00 -3.283469565584E-01 7.565011789456E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.053887722556E-01 -1.371192348321E+00 0.000000000000E+00 5.081725299054E-01 -1.453552732488E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.501872449239E-01 6.980480166836E-01 0.000000000000E+00 -3.363302550654E-01 7.505363508685E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.442909491614E-01 -1.337290142146E+00 0.000000000000E+00 5.383569878760E-01 -1.447607059049E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.289165899057E-01 6.876270776261E-01 0.000000000000E+00 -3.440726913631E-01 7.445337131739E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.810277905841E-01 -1.304053841649E+00 0.000000000000E+00 5.668493359217E-01 -1.441509208816E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.079572190092E-01 6.772000371852E-01 0.000000000000E+00 -3.515651330202E-01 7.384890737483E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.156658777704E-01 -1.271486384792E+00 0.000000000000E+00 5.936682370592E-01 -1.435195353742E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.873256050153E-01 6.667742417424E-01 0.000000000000E+00 -3.587993933173E-01 7.323986820624E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.482731018694E-01 -1.239589014289E+00 0.000000000000E+00 6.188379682362E-01 -1.428612033413E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.670369350779E-01 6.563567491886E-01 0.000000000000E+00 -3.657682047672E-01 7.262592317650E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.789182417865E-01 -1.208361430449E+00 0.000000000000E+00 6.423876571281E-01 -1.421715172481E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.471051531930E-01 6.459543326319E-01 0.000000000000E+00 -3.724651905339E-01 7.200678591345E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.076705831441E-01 -1.177801935017E+00 0.000000000000E+00 6.643505861802E-01 -1.414469163232E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.275430030951E-01 6.355734845245E-01 0.000000000000E+00 -3.788848341524E-01 7.138221379648E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.345995736033E-01 -1.147907566088E+00 0.000000000000E+00 6.847635579367E-01 -1.406846011042E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.083620713510E-01 6.252204211536E-01 0.000000000000E+00 -3.850224479118E-01 7.075200714106E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.597745112605E-01 -1.118674224203E+00 0.000000000000E+00 7.036663165000E-01 -1.398824540148E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.957283044758E-02 6.149010874494E-01 0.000000000000E+00 -3.908741402278E-01 7.011600812681E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.832642639663E-01 -1.090096789826E+00 0.000000000000E+00 7.211010207942E-01 -1.390389657046E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.118468169333E-02 6.046211620652E-01 0.000000000000E+00 -3.964367822953E-01 6.947409951190E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.051370181746E-01 -1.062169232507E+00 0.000000000000E+00 7.371117660745E-01 -1.381531668944E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.320599777812E-02 5.943860626895E-01 0.000000000000E+00 -4.017079742818E-01 6.882620317211E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.254600563243E-01 -1.034884712076E+00 0.000000000000E+00 7.517441506974E-01 -1.372245654750E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.564416485351E-02 5.842009515514E-01 0.000000000000E+00 -4.066860112924E-01 6.817227849914E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.442995618537E-01 -1.008235672281E+00 0.000000000000E+00 7.650448855522E-01 -1.362530886211E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.850562401750E-02 5.740707410848E-01 0.000000000000E+00 -4.113698493077E-01 6.751232068857E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.617204508242E-01 -9.822139272874E-01 0.000000000000E+00 7.770614437525E-01 -1.352390296858E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.795912103631E-03 5.640000997212E-01 0.000000000000E+00 -4.157590712748E-01 6.684635894465E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.777862288955E-01 -9.568107414612E-01 0.000000000000E+00 7.878417482413E-01 -1.341829996395E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.448029830897E-02 5.539934577813E-01 0.000000000000E+00 -4.198538535056E-01 6.617445462576E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.925588721216E-01 -9.320169028595E-01 0.000000000000E+00 7.974338949281E-01 -1.330858828163E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.031915973399E-02 5.440550134397E-01 0.000000000000E+00 -4.236549325155E-01 6.549669935162E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.060987297988E-01 -9.078227908213E-01 0.000000000000E+00 8.058859089138E-01 -1.319487967223E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.571761152066E-02 5.341887387391E-01 0.000000000000E+00 -4.271635724191E-01 6.481321309041E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.184644474347E-01 -8.842184380476E-01 0.000000000000E+00 8.132455312969E-01 -1.307730556566E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.067334254522E-02 5.243983856329E-01 0.000000000000E+00 -4.303815329783E-01 6.412414224172E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.297129078368E-01 -8.611935875327E-01 0.000000000000E+00 8.195600340443E-01 -1.295601378942E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.518475488468E-02 5.146874920373E-01 0.000000000000E+00 -4.333110383852E-01 6.342965772913E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.398991883345E-01 -8.387377446916E-01 0.000000000000E+00 8.248760604409E-01 -1.283116561777E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.925092849751E-02 5.050593878752E-01 0.000000000000E+00 -4.359547468476E-01 6.272995311387E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.490765322370E-01 -8.168402250092E-01 0.000000000000E+00 8.292394887172E-01 -1.270293312714E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.028715869270E-01 4.955172010972E-01 0.000000000000E+00 -4.383157210294E-01 6.202524273974E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.572963327625E-01 -7.954901975194E-01 0.000000000000E+00 8.326953165837E-01 -1.257149683375E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.160470640361E-01 4.860638636657E-01 0.000000000000E+00 -4.403973993908E-01 6.131575991744E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.646081278342E-01 -7.746767244029E-01 0.000000000000E+00 8.352875645468E-01 -1.243704359040E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.287782717770E-01 4.767021174910E-01 0.000000000000E+00 -4.422035684601E-01 6.060175515529E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.710596043046E-01 -7.543887969775E-01 0.000000000000E+00 8.370591960527E-01 -1.229976472065E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.410666689904E-01 4.674345203076E-01 0.000000000000E+00 -4.437383360605E-01 5.988349444200E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.766966103301E-01 -7.346153683349E-01 0.000000000000E+00 8.380520526681E-01 -1.215985436983E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.529142312290E-01 4.582634514827E-01 0.000000000000E+00 -4.450061055078E-01 5.916125758601E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.815631747666E-01 -7.153453828672E-01 0.000000000000E+00 8.383068026729E-01 -1.201750805373E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.643234215926E-01 4.491911177486E-01 0.000000000000E+00 -4.460115507871E-01 5.843533661481E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.857015325851E-01 -6.965678029066E-01 0.000000000000E+00 8.378629015892E-01 -1.187292138702E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.752971625583E-01 4.402195588515E-01 0.000000000000E+00 -4.467595927115E-01 5.770603423718E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.345995735994E-01 -1.147907566062E+00 0.000000000000E+00 6.847635579121E-01 -1.406846011011E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.083620713503E-01 6.252204211532E-01 0.000000000000E+00 -3.850224479101E-01 7.075200714110E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.184644474242E-01 -8.842184380269E-01 0.000000000000E+00 8.132455312718E-01 -1.307730556539E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.067334254614E-02 5.243983856324E-01 0.000000000000E+00 -4.303815329762E-01 6.412414224181E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.891521554104E-01 -6.782716326747E-01 0.000000000000E+00 8.367585632860E-01 -1.172628897477E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.858388087924E-01 4.313506531119E-01 0.000000000000E+00 -4.472553760571E-01 5.697366237013E-01 RangeSep LC 0.300000 diff --git a/test/prog/sktable/LCY-BNL/Non-Relativistic/_O-N.skf b/test/prog/sktable/LCY-BNL/Non-Relativistic/_O-N.skf index df8375ac..f284d80a 100644 --- a/test/prog/sktable/LCY-BNL/Non-Relativistic/_O-N.skf +++ b/test/prog/sktable/LCY-BNL/Non-Relativistic/_O-N.skf @@ -1,93 +1,11 @@ -0.020000 69 +0.200000 7 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.215352598174E-01 -1.866966874788E+00 0.000000000000E+00 3.965007783471E-01 -1.572125314802E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.449582157941E-01 8.290853298410E-01 0.000000000000E+00 -3.110321581609E-01 8.271733432491E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.501859567977E-01 -1.825787106659E+00 0.000000000000E+00 4.412116802964E-01 -1.555477952560E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.217936792707E-01 8.195464654485E-01 0.000000000000E+00 -3.216124089428E-01 8.212051214191E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.814339497060E-01 -1.784992447262E+00 0.000000000000E+00 4.845945382803E-01 -1.541000252619E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.985927459151E-01 8.098792231122E-01 0.000000000000E+00 -3.320075378474E-01 8.152740046926E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.153006569788E-01 -1.744626637657E+00 0.000000000000E+00 5.265386572656E-01 -1.528381604116E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.753916563878E-01 8.000947238439E-01 0.000000000000E+00 -3.422009210648E-01 8.093732523818E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.517935965283E-01 -1.704728723514E+00 0.000000000000E+00 5.669526100981E-01 -1.517337870641E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.522250166016E-01 7.902038221700E-01 0.000000000000E+00 -3.521769069121E-01 8.034959222503E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.909079595510E-01 -1.665333357618E+00 0.000000000000E+00 6.057625828199E-01 -1.507610389102E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.291257982707E-01 7.802170974845E-01 0.000000000000E+00 -3.619208391842E-01 7.976349887076E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.326280775469E-01 -1.626471093482E+00 0.000000000000E+00 6.429107834059E-01 -1.498964811449E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.061253461586E-01 7.701448469537E-01 0.000000000000E+00 -3.714190719035E-01 7.917834455781E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.769287807959E-01 -1.588168668092E+00 0.000000000000E+00 6.783539231702E-01 -1.491189837721E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.832533912680E-01 7.599970798490E-01 0.000000000000E+00 -3.806589764100E-01 7.859343946209E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.237766480250E-01 -1.550449272217E+00 0.000000000000E+00 7.120617775614E-01 -1.484095880284E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.605380692726E-01 7.497835131923E-01 0.000000000000E+00 -3.896289416617E-01 7.800811209646E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.313114826130E-02 -1.513332807144E+00 0.000000000000E+00 7.440158310463E-01 -1.477513691967E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.380059435404E-01 7.395135686039E-01 0.000000000000E+00 -3.983183685528E-01 7.742171565870E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.494567704857E-02 -1.476836127320E+00 0.000000000000E+00 7.742080091796E-01 -1.471292984787E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.156820321480E-01 7.291963702501E-01 0.000000000000E+00 -4.067176589873E-01 7.683363329363E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.083150953030E-02 -1.440973268935E+00 0.000000000000E+00 8.026394996178E-01 -1.465301061002E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.935898383324E-01 7.188407437928E-01 0.000000000000E+00 -4.148182003891E-01 7.624328237330E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.425645813313E-02 -1.405755665063E+00 0.000000000000E+00 8.293196625454E-01 -1.459421473963E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.717513838714E-01 7.084552162505E-01 0.000000000000E+00 -4.226123462706E-01 7.565011789456E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.053887722556E-01 -1.371192348321E+00 0.000000000000E+00 8.542650295844E-01 -1.453552732488E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.501872449239E-01 6.980480166836E-01 0.000000000000E+00 -4.300933934270E-01 7.505363508685E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.442909491614E-01 -1.337290142146E+00 0.000000000000E+00 8.774983887242E-01 -1.447607059049E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.289165899057E-01 6.876270776261E-01 0.000000000000E+00 -4.372555562754E-01 7.445337131739E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.810277905841E-01 -1.304053841649E+00 0.000000000000E+00 8.990479512735E-01 -1.441509208816E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.079572190092E-01 6.772000371852E-01 0.000000000000E+00 -4.440939388074E-01 7.384890737483E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.156658777704E-01 -1.271486384792E+00 0.000000000000E+00 9.189465955349E-01 -1.435195353742E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.873256050153E-01 6.667742417424E-01 0.000000000000E+00 -4.506045045836E-01 7.323986820624E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.482731018694E-01 -1.239589014289E+00 0.000000000000E+00 9.372311810584E-01 -1.428612033413E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.670369350779E-01 6.563567491886E-01 0.000000000000E+00 -4.567840451527E-01 7.262592317650E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.789182417865E-01 -1.208361430449E+00 0.000000000000E+00 9.539419270431E-01 -1.421715172481E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.471051531930E-01 6.459543326319E-01 0.000000000000E+00 -4.626301472451E-01 7.200678591345E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.076705831441E-01 -1.177801935017E+00 0.000000000000E+00 9.691218486921E-01 -1.414469163232E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.275430030951E-01 6.355734845245E-01 0.000000000000E+00 -4.681411590516E-01 7.138221379648E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.345995736033E-01 -1.147907566088E+00 0.000000000000E+00 9.828162459277E-01 -1.406846011042E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.083620713510E-01 6.252204211536E-01 0.000000000000E+00 -4.733161558675E-01 7.075200714106E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.597745112605E-01 -1.118674224203E+00 0.000000000000E+00 9.950722396719E-01 -1.398824540148E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.957283044758E-02 6.149010874494E-01 0.000000000000E+00 -4.781549053507E-01 7.011600812681E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.832642639663E-01 -1.090096789826E+00 0.000000000000E+00 1.005938351704E+00 -1.390389657046E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.118468169333E-02 6.046211620652E-01 0.000000000000E+00 -4.826578326161E-01 6.947409951190E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.051370181746E-01 -1.062169232507E+00 0.000000000000E+00 1.015464124823E+00 -1.381531668944E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.320599777812E-02 5.943860626895E-01 0.000000000000E+00 -4.868259853628E-01 6.882620317211E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.254600563243E-01 -1.034884712076E+00 0.000000000000E+00 1.023699780602E+00 -1.372245654750E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.564416485351E-02 5.842009515514E-01 0.000000000000E+00 -4.906609992050E-01 6.817227849914E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.442995618537E-01 -1.008235672281E+00 0.000000000000E+00 1.030695912385E+00 -1.362530886211E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.850562401750E-02 5.740707410848E-01 0.000000000000E+00 -4.941650633588E-01 6.751232068857E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.617204508242E-01 -9.822139272874E-01 0.000000000000E+00 1.036503211419E+00 -1.352390296858E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.795912103631E-03 5.640000997212E-01 0.000000000000E+00 -4.973408868160E-01 6.684635894465E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.777862288955E-01 -9.568107414612E-01 0.000000000000E+00 1.041172224096E+00 -1.341829996395E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.448029830897E-02 5.539934577813E-01 0.000000000000E+00 -5.001916651169E-01 6.617445462576E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.925588721216E-01 -9.320169028595E-01 0.000000000000E+00 1.044753138305E+00 -1.330858828163E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.031915973399E-02 5.440550134397E-01 0.000000000000E+00 -5.027210478204E-01 6.549669935162E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.060987297988E-01 -9.078227908213E-01 0.000000000000E+00 1.047295596889E+00 -1.319487967223E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.571761152066E-02 5.341887387391E-01 0.000000000000E+00 -5.049331067502E-01 6.481321309041E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.184644474347E-01 -8.842184380476E-01 0.000000000000E+00 1.048848536158E+00 -1.307730556566E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.067334254522E-02 5.243983856329E-01 0.000000000000E+00 -5.068323050886E-01 6.412414224172E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.297129078368E-01 -8.611935875327E-01 0.000000000000E+00 1.049460047434E+00 -1.295601378942E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.518475488468E-02 5.146874920373E-01 0.000000000000E+00 -5.084234673697E-01 6.342965772913E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.398991883345E-01 -8.387377446916E-01 0.000000000000E+00 1.049177259629E+00 -1.283116561777E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.925092849751E-02 5.050593878752E-01 0.000000000000E+00 -5.097117504193E-01 6.272995311387E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.490765322370E-01 -8.168402250092E-01 0.000000000000E+00 1.048046240893E+00 -1.270293312714E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.028715869270E-01 4.955172010972E-01 0.000000000000E+00 -5.107026152743E-01 6.202524273974E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.572963327625E-01 -7.954901975194E-01 0.000000000000E+00 1.046111917498E+00 -1.257149683375E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.160470640361E-01 4.860638636657E-01 0.000000000000E+00 -5.114018001079E-01 6.131575991744E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.646081278342E-01 -7.746767244029E-01 0.000000000000E+00 1.043418008207E+00 -1.243704359040E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.287782717770E-01 4.767021174910E-01 0.000000000000E+00 -5.118152941766E-01 6.060175515529E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.710596043046E-01 -7.543887969775E-01 0.000000000000E+00 1.040006972495E+00 -1.229976472065E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.410666689904E-01 4.674345203076E-01 0.000000000000E+00 -5.119493128018E-01 5.988349444200E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.766966103301E-01 -7.346153683349E-01 0.000000000000E+00 1.035919971129E+00 -1.215985436983E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.529142312290E-01 4.582634514827E-01 0.000000000000E+00 -5.118102733872E-01 5.916125758601E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.815631747666E-01 -7.153453828672E-01 0.000000000000E+00 1.031196837741E+00 -1.201750805373E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.643234215926E-01 4.491911177486E-01 0.000000000000E+00 -5.114047724721E-01 5.843533661481E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.857015325851E-01 -6.965678029066E-01 0.000000000000E+00 1.025876060116E+00 -1.187292138702E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.752971625583E-01 4.402195588515E-01 0.000000000000E+00 -5.107395638139E-01 5.770603423718E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.345995735994E-01 -1.147907566062E+00 0.000000000000E+00 9.828162459064E-01 -1.406846011011E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.083620713503E-01 6.252204211532E-01 0.000000000000E+00 -4.733161558675E-01 7.075200714110E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.184644474242E-01 -8.842184380269E-01 0.000000000000E+00 1.048848536136E+00 -1.307730556539E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.067334254614E-02 5.243983856324E-01 0.000000000000E+00 -5.068323050883E-01 6.412414224181E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.891521554104E-01 -6.782716326747E-01 0.000000000000E+00 1.019994770056E+00 -1.172628897477E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.858388087924E-01 4.313506531119E-01 0.000000000000E+00 -5.098215374886E-01 5.697366237013E-01 RangeSep LC 0.300000 diff --git a/test/prog/sktable/LCY-BNL/Non-Relativistic/_O-O.skf b/test/prog/sktable/LCY-BNL/Non-Relativistic/_O-O.skf index 379721f1..408a6959 100644 --- a/test/prog/sktable/LCY-BNL/Non-Relativistic/_O-O.skf +++ b/test/prog/sktable/LCY-BNL/Non-Relativistic/_O-O.skf @@ -1,94 +1,12 @@ -0.020000 69 - 0.000000000000E+00 -3.733147131786E-01 -9.957804904732E-01 0.000000000000E+00 0.000000000000E+00 4.911827024249E-01 4.911827024249E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 +0.200000 7 + 0.000000000000E+00 -3.733147131918E-01 -9.957804904931E-01 0.000000000000E+00 0.000000000000E+00 4.911827019098E-01 4.911827019098E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 1.601000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.457199541170E-01 -2.041113605484E+00 0.000000000000E+00 3.339236849553E-01 -1.748277478042E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.123916830265E-01 8.174937848190E-01 0.000000000000E+00 -2.880974646858E-01 8.278208526549E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.657083375504E-01 -1.991729945420E+00 0.000000000000E+00 3.878914952347E-01 -1.732947815123E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.881955276903E-01 8.072614547051E-01 0.000000000000E+00 -2.987233351638E-01 8.215818618326E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.891719225072E-01 -1.942986763106E+00 0.000000000000E+00 4.399988331716E-01 -1.719593938626E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.640437801528E-01 7.969131070719E-01 0.000000000000E+00 -3.091681700694E-01 8.153674906237E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.160955255887E-01 -1.894930696405E+00 0.000000000000E+00 4.901210389529E-01 -1.707864716827E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.399746077054E-01 7.864612183254E-01 0.000000000000E+00 -3.194120023835E-01 8.091692655054E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.464482761875E-01 -1.847602266438E+00 0.000000000000E+00 5.381596582615E-01 -1.697444819118E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.160240597833E-01 7.759178884253E-01 0.000000000000E+00 -3.294361705679E-01 8.029787682194E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.801857808164E-01 -1.801036338077E+00 0.000000000000E+00 5.840398342371E-01 -1.688052655147E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.922260949438E-01 7.652948345197E-01 0.000000000000E+00 -3.392233364640E-01 7.967877533037E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.172520937412E-01 -1.755262557190E+00 0.000000000000E+00 6.277078427058E-01 -1.679438212315E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.686126151985E-01 7.546033864941E-01 0.000000000000E+00 -3.487574919863E-01 7.905882466932E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.758149796077E-02 -1.710305763330E+00 0.000000000000E+00 6.691287807028E-01 -1.671380848547E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.452135066608E-01 7.438544842581E-01 0.000000000000E+00 -3.580239559831E-01 7.843726271640E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.100103074644E-03 -1.666186377566E+00 0.000000000000E+00 7.082844146548E-01 -1.663687086039E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.220566855507E-01 7.330586766030E-01 0.000000000000E+00 -3.670093625279E-01 7.781336923244E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.227273067705E-02 -1.622920766381E+00 0.000000000000E+00 7.451711913114E-01 -1.656188442381E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.991681486837E-01 7.222261214734E-01 0.000000000000E+00 -3.757016417992E-01 7.718647107709E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.026231300272E-01 -1.580521583206E+00 0.000000000000E+00 7.797984112127E-01 -1.648739327373E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.765720276473E-01 7.113665875080E-01 0.000000000000E+00 -3.840899946071E-01 7.655594619283E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.500415931364E-01 -1.538998089458E+00 0.000000000000E+00 8.121865610791E-01 -1.641215026493E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.542906459404E-01 7.004894567146E-01 0.000000000000E+00 -3.921648615309E-01 7.592122649982E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.946220043894E-01 -1.498356456716E+00 0.000000000000E+00 8.423657982588E-01 -1.633509785461E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.323445784229E-01 6.896037281511E-01 0.000000000000E+00 -3.999178875425E-01 7.528179983331E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.364607627482E-01 -1.458600051208E+00 0.000000000000E+00 8.703745777410E-01 -1.625535004426E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.107527124838E-01 6.787180224975E-01 0.000000000000E+00 -4.073418829089E-01 7.463721104558E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.756560080809E-01 -1.419729701293E+00 0.000000000000E+00 8.962584106456E-01 -1.617217545582E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.895323104003E-01 6.678405874081E-01 0.000000000000E+00 -4.144307810865E-01 7.398706238380E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.123069321897E-01 -1.381743948246E+00 0.000000000000E+00 9.200687426508E-01 -1.608498154426E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.686990724147E-01 6.569793035454E-01 0.000000000000E+00 -4.211795942506E-01 7.333101324603E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.465131640383E-01 -1.344639280553E+00 0.000000000000E+00 9.418619413379E-01 -1.599329992450E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.482672001121E-01 6.461416912021E-01 0.000000000000E+00 -4.275843670341E-01 7.266877940758E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.783742213717E-01 -1.308410351962E+00 0.000000000000E+00 9.616983825683E-01 -1.589677277690E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.282494597291E-01 6.353349174253E-01 0.000000000000E+00 -4.336421289867E-01 7.200013180158E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.079890231272E-01 -1.273050183667E+00 0.000000000000E+00 9.796416273703E-01 -1.579514028847E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.086572450704E-01 6.245658035670E-01 0.000000000000E+00 -4.393508462102E-01 7.132489492885E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.354554585939E-01 -1.238550351195E+00 0.000000000000E+00 9.957576821224E-01 -1.568822908442E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.950063975473E-02 6.138408331861E-01 0.000000000000E+00 -4.447093725701E-01 7.064294496434E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.608700102082E-01 -1.204901156673E+00 0.000000000000E+00 1.010114335892E+00 -1.557594160430E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.078847854802E-02 6.031661602394E-01 0.000000000000E+00 -4.497174008349E-01 6.995420762026E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.843274272669E-01 -1.172091787278E+00 0.000000000000E+00 1.022780569575E+00 -1.545824637748E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.252840758007E-02 5.925476175003E-01 0.000000000000E+00 -4.543754140520E-01 6.925865581877E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.059204478656E-01 -1.140110460672E+00 0.000000000000E+00 1.033826031973E+00 -1.533516915273E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.472694327288E-02 5.819907251525E-01 0.000000000000E+00 -4.586846374233E-01 6.855630722135E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.257395661629E-01 -1.108944558269E+00 0.000000000000E+00 1.043320578226E+00 -1.520678483642E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.738952983942E-02 5.715006995089E-01 0.000000000000E+00 -4.626469909111E-01 6.784722165586E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.438728417664E-01 -1.078580747128E+00 0.000000000000E+00 1.051333866141E+00 -1.507321019368E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.205952385017E-04 5.610824618130E-01 0.000000000000E+00 -4.662650427677E-01 6.713149847712E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.604057478290E-01 -1.049005091261E+00 0.000000000000E+00 1.057935005982E+00 -1.493459726587E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.587639450372E-02 5.507406470819E-01 0.000000000000E+00 -4.695419641505E-01 6.640927389210E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.754210541586E-01 -1.020203153097E+00 0.000000000000E+00 1.063192259350E+00 -1.479112745713E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.179888267338E-02 5.404796129575E-01 0.000000000000E+00 -4.724814849603E-01 6.568071827658E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.889987416742E-01 -9.921600857902E-01 0.000000000000E+00 1.067172782824E+00 -1.464300624302E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.724517099769E-02 5.303034485339E-01 0.000000000000E+00 -4.750878510100E-01 6.494603350599E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.012159445825E-01 -9.648607170398E-01 0.000000000000E+00 1.069942412123E+00 -1.449045845406E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.221437055346E-02 5.202159831324E-01 0.000000000000E+00 -4.773657826128E-01 6.420545031985E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.121469167926E-01 -9.382896250440E-01 0.000000000000E+00 1.071565482766E+00 -1.433372408862E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.670635447099E-02 5.102207950027E-01 0.000000000000E+00 -4.793204346573E-01 6.345922573615E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.218630193249E-01 -9.124312071683E-01 0.000000000000E+00 1.072104683390E+00 -1.417305461036E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.072171243540E-02 5.003212199255E-01 0.000000000000E+00 -4.809573582166E-01 6.270764052885E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.304327258794E-01 -8.872697418664E-01 0.000000000000E+00 1.071620938126E+00 -1.400870968829E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.042617069760E-01 4.905203597012E-01 0.000000000000E+00 -4.822824637273E-01 6.195099677976E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.379216437462E-01 -8.627894443940E-01 0.000000000000E+00 1.070173314784E+00 -1.384095433870E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.173282315247E-01 4.808210905076E-01 0.000000000000E+00 -4.833019857562E-01 6.118961551337E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.443925479331E-01 -8.389745167607E-01 0.000000000000E+00 1.067818955761E+00 -1.367005643197E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.299237702164E-01 4.712260711134E-01 0.000000000000E+00 -4.840224493618E-01 6.042383442154E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.499054262763E-01 -8.158091923990E-01 0.000000000000E+00 1.064613028984E+00 -1.349628452879E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.420513593956E-01 4.617377509365E-01 0.000000000000E+00 -4.844506380487E-01 5.965400568326E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.545175337991E-01 -7.932777759562E-01 0.000000000000E+00 1.060608696367E+00 -1.331990601344E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.537145507918E-01 4.523583779376E-01 0.000000000000E+00 -4.845935632998E-01 5.888049388318E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.582834547137E-01 -7.713646786038E-01 0.000000000000E+00 1.055857097565E+00 -1.314118549443E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.649173763163E-01 4.430900063424E-01 0.000000000000E+00 -4.844584356684E-01 5.810367403124E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.612551706605E-01 -7.500544492339E-01 0.000000000000E+00 1.050407346999E+00 -1.296038344470E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.756643144345E-01 4.339345041849E-01 0.000000000000E+00 -4.840526374014E-01 5.732392968489E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.634821339563E-01 -7.293318018763E-01 0.000000000000E+00 1.044306542353E+00 -1.277775505650E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.859602580622E-01 4.248935606690E-01 0.000000000000E+00 -4.833836965613E-01 5.654165117418E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.650113447700E-01 -7.091816396604E-01 0.000000000000E+00 1.037599782923E+00 -1.259354928775E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.958104839335E-01 4.159686933447E-01 0.000000000000E+00 -4.824592626112E-01 5.575723392932E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.608700102057E-01 -1.204901156653E+00 0.000000000000E+00 1.010114335875E+00 -1.557594160408E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.078847854619E-02 6.031661602385E-01 0.000000000000E+00 -4.497174008342E-01 6.995420762030E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.218630193176E-01 -9.124312071527E-01 0.000000000000E+00 1.072104683372E+00 -1.417305461017E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.072171243744E-02 5.003212199244E-01 0.000000000000E+00 -4.809573582154E-01 6.270764052892E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.658874312672E-01 -6.895890756004E-01 0.000000000000E+00 1.030330196335E+00 -1.240800807878E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.052206233888E-01 4.071612550948E-01 0.000000000000E+00 -4.812870834180E-01 5.497107690982E-01 RangeSep LC 0.300000 diff --git a/test/prog/sktable/LCY-BNL/Non-Relativistic/skdef.hsd b/test/prog/sktable/LCY-BNL/Non-Relativistic/skdef.hsd index 7a1c533f..bae914f7 100644 --- a/test/prog/sktable/LCY-BNL/Non-Relativistic/skdef.hsd +++ b/test/prog/sktable/LCY-BNL/Non-Relativistic/skdef.hsd @@ -95,10 +95,10 @@ OnecenterParameters { TwoCenterParameters { $EqGrid = EquidistantGrid { - GridStart = 0.6 - GridSeparation = 0.02 + GridStart = 1.0 + GridSeparation = 0.2 Tolerance = 5e-5 - MaxDistance = -1.4 + MaxDistance = -1.5 } $SkTwocnt_300_150 = Sktwocnt { diff --git a/test/prog/sktable/LCY-PBE96/Non-Relativistic/_N-N.skf b/test/prog/sktable/LCY-PBE96/Non-Relativistic/_N-N.skf index 0b7fab32..9738f1db 100644 --- a/test/prog/sktable/LCY-PBE96/Non-Relativistic/_N-N.skf +++ b/test/prog/sktable/LCY-PBE96/Non-Relativistic/_N-N.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -2.690322599836E-01 -6.400000000000E-01 -3.150532541543E-02 0.000000000000E+00 4.247672421193E-01 4.247672421193E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 +0.200000 12 + 0.000000000000E+00 -2.690322600013E-01 -6.400000000000E-01 -3.150532541542E-02 0.000000000000E+00 4.247672389546E-01 4.247672389546E-01 0.000000000000E+00 3.000000000000E+00 2.000000000000E+00 1.400700000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -10,85 +10,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.691777028583E-01 -1.701845431066E+00 0.000000000000E+00 7.010295364800E-02 -1.454459379036E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.775567894896E-01 8.456242282502E-01 0.000000000000E+00 -2.481197665526E-01 8.396808635942E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.062364773804E-01 -1.667497200740E+00 0.000000000000E+00 1.102416620741E-01 -1.434774184318E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.551651620790E-01 8.366160596950E-01 0.000000000000E+00 -2.579059545319E-01 8.335670823373E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.452025045201E-01 -1.633362074956E+00 0.000000000000E+00 1.498085180013E-01 -1.417393080785E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.326708293413E-01 8.274694671877E-01 0.000000000000E+00 -2.676179976307E-01 8.274988841946E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.861173466285E-01 -1.599478755289E+00 0.000000000000E+00 1.886686888644E-01 -1.402048265442E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.101082632606E-01 8.181944478335E-01 0.000000000000E+00 -2.772386624003E-01 8.214718468254E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.290108481325E-01 -1.565882395370E+00 0.000000000000E+00 2.267040280102E-01 -1.388490563428E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.875107012549E-01 8.088008183868E-01 0.000000000000E+00 -2.867513399376E-01 8.154811256056E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.739022369996E-01 -1.532604802016E+00 0.000000000000E+00 2.638119550036E-01 -1.376489162595E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.649101276208E-01 7.992982054632E-01 0.000000000000E+00 -2.961400894682E-01 8.095215657385E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.208011674610E-01 -1.499674633647E+00 0.000000000000E+00 2.999043501212E-01 -1.365831171693E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.423372606803E-01 7.896960369476E-01 0.000000000000E+00 -3.053896741141E-01 8.035878024148E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.697087022508E-01 -1.467117594454E+00 0.000000000000E+00 3.349064733761E-01 -1.356321042540E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.198215451452E-01 7.800035345197E-01 0.000000000000E+00 -3.144855895349E-01 7.976743497511E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.206182341354E-01 -1.434956622937E+00 0.000000000000E+00 3.687559159184E-01 -1.347779889930E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.973911492398E-01 7.702297072225E-01 0.000000000000E+00 -3.234140860897E-01 7.917756792468E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.735163476161E-01 -1.403212073611E+00 0.000000000000E+00 4.014015894633E-01 -1.340044737364E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.750729661563E-01 7.603833460025E-01 0.000000000000E+00 -3.321621851208E-01 7.858862885037E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.283836223165E-01 -1.371901890828E+00 0.000000000000E+00 4.328027576211E-01 -1.332967711785E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.528926194392E-01 7.504730191559E-01 0.000000000000E+00 -3.407176899191E-01 7.800007609393E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.519537968572E-02 -1.341041773908E+00 0.000000000000E+00 4.629281116790E-01 -1.326415206325E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.308744719224E-01 7.405070686159E-01 0.000000000000E+00 -3.490691918938E-01 7.741138172097E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.392237433774E-02 -1.310645332994E+00 0.000000000000E+00 4.917548925619E-01 -1.320267026654E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.090416378640E-01 7.304936070224E-01 0.000000000000E+00 -3.572060724274E-01 7.682203590296E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.531430788701E-03 -1.280724235413E+00 0.000000000000E+00 5.192680603116E-01 -1.314415533793E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.874159979486E-01 7.204405155165E-01 0.000000000000E+00 -3.651185008662E-01 7.623155060523E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.301397416585E-02 -1.251288342630E+00 0.000000000000E+00 5.454595123596E-01 -1.308764794124E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.660182168437E-01 7.103554422061E-01 0.000000000000E+00 -3.727974290603E-01 7.563946264382E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.875318338768E-02 -1.222345838303E+00 0.000000000000E+00 5.703273518874E-01 -1.303229745647E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.448677630205E-01 7.002458012528E-01 0.000000000000E+00 -3.802345828386E-01 7.504533617055E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.027278852518E-01 -1.193903348187E+00 0.000000000000E+00 5.938752074506E-01 -1.297735388168E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.239829305671E-01 6.901187725295E-01 0.000000000000E+00 -3.874224507726E-01 7.444876464247E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.349816921024E-01 -1.165966052829E+00 0.000000000000E+00 6.161116045863E-01 -1.292216003728E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.033808627385E-01 6.799813018062E-01 0.000000000000E+00 -3.943542705583E-01 7.384937232803E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.655597686578E-01 -1.138537793972E+00 0.000000000000E+00 6.370493892946E-01 -1.286614412253E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.830775770098E-01 6.698401014184E-01 0.000000000000E+00 -4.010240133189E-01 7.324681539878E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.945085062886E-01 -1.111621175462E+00 0.000000000000E+00 6.567052021673E-01 -1.280881265869E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.630879914096E-01 6.597016513783E-01 0.000000000000E+00 -4.074263661065E-01 7.264078265220E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.218752379320E-01 -1.085217659197E+00 0.000000000000E+00 6.750990007524E-01 -1.274974383854E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.434259519337E-01 6.495722008908E-01 0.000000000000E+00 -4.135567128610E-01 7.203099590739E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.477079877436E-01 -1.059327656423E+00 0.000000000000E+00 6.922536267299E-01 -1.268858128785E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.241042608488E-01 6.394577702381E-01 0.000000000000E+00 -4.194111140607E-01 7.141721011265E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.720552495401E-01 -1.033950614493E+00 0.000000000000E+00 7.081944137925E-01 -1.262502823246E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.051347057139E-01 6.293641529968E-01 0.000000000000E+00 -4.249862852828E-01 7.079921320032E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.949657885711E-01 -1.009085099076E+00 0.000000000000E+00 7.229488318712E-01 -1.255884205634E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.652808896117E-02 6.192969185593E-01 0.000000000000E+00 -4.302795748706E-01 7.017682572162E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.164884620400E-01 -9.847288717917E-01 0.000000000000E+00 7.365461634667E-01 -1.248982923051E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.829425788969E-02 6.092614149246E-01 0.000000000000E+00 -4.352889408891E-01 6.954990029119E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.366720548574E-01 -9.608789632706E-01 0.000000000000E+00 7.490172082685E-01 -1.241784059066E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.044213494109E-02 5.992627717346E-01 0.000000000000E+00 -4.400129275348E-01 6.891832086855E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.555651282010E-01 -9.375317416994E-01 0.000000000000E+00 7.603940128286E-01 -1.234276694116E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.297974813579E-02 5.893059035260E-01 0.000000000000E+00 -4.444506411494E-01 6.828200190103E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.732158794283E-01 -9.146829769731E-01 0.000000000000E+00 7.707096227025E-01 -1.226453496510E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.591426156180E-02 5.793955131756E-01 0.000000000000E+00 -4.486017259730E-01 6.764088735039E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.896720126600E-01 -8.923279006305E-01 0.000000000000E+00 7.799978550729E-01 -1.218310342159E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.479941818111E-04 5.695360955135E-01 0.000000000000E+00 -4.524663397614E-01 6.699494962342E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.049806198898E-01 -8.704612617774E-01 0.000000000000E+00 7.882930903860E-01 -1.209845961476E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.700149167419E-02 5.597319410845E-01 0.000000000000E+00 -4.560451293770E-01 6.634418842445E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.191880727855E-01 -8.490773792204E-01 0.000000000000E+00 7.956300819121E-01 -1.201061612034E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.284147657267E-02 5.499871400370E-01 0.000000000000E+00 -4.593392064535E-01 6.568862954602E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.323399254421E-01 -8.281701900314E-01 0.000000000000E+00 8.020437823950E-01 -1.191960775770E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.826393779215E-02 5.403055861202E-01 0.000000000000E+00 -4.623501232229E-01 6.502832361226E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.444808283008E-01 -8.077332947545E-01 0.000000000000E+00 8.075691870916E-01 -1.182548879632E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.326557802469E-02 5.306909807727E-01 0.000000000000E+00 -4.650798485846E-01 6.436334478789E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.556544532935E-01 -7.877599994532E-01 0.000000000000E+00 8.122411925464E-01 -1.172833038591E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.784378465202E-02 5.211468372874E-01 0.000000000000E+00 -4.675307444844E-01 6.369378946421E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.659034300690E-01 -7.682433547823E-01 0.000000000000E+00 8.160944704215E-01 -1.162821819987E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.199660109682E-02 5.116764850360E-01 0.000000000000E+00 -4.697055426677E-01 6.301977493238E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.752692929533E-01 -7.491761922535E-01 0.000000000000E+00 8.191633556550E-01 -1.152525028148E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.057226986519E-01 5.022830737417E-01 0.000000000000E+00 -4.716073218572E-01 6.234143805273E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.837924381134E-01 -7.305511578525E-01 0.000000000000E+00 8.214817481494E-01 -1.141953508199E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.190213488206E-01 4.929695777853E-01 0.000000000000E+00 -4.732394854039E-01 6.165893392804E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.915120902535E-01 -7.123607431529E-01 0.000000000000E+00 8.230830271383E-01 -1.131118967950E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.318923961962E-01 4.837388005359E-01 0.000000000000E+00 -4.746057394486E-01 6.097243458759E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.984662780819E-01 -6.945973140690E-01 0.000000000000E+00 8.239999773372E-01 -1.120033816753E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.443362319035E-01 4.745933786928E-01 0.000000000000E+00 -4.757100716296E-01 6.028212768782E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.046918177414E-01 -6.772531373759E-01 0.000000000000E+00 8.242647259674E-01 -1.108711020192E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.563537676196E-01 4.655357866318E-01 0.000000000000E+00 -4.765567303625E-01 5.958821523476E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.843613048720E-01 -3.061230360251E-01 0.000000000000E+00 6.467366373574E-01 -7.102562958432E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.393146535545E-01 2.356385749275E-01 0.000000000000E+00 -4.047573167627E-01 3.770946670267E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.391607494580E-01 -2.362197373273E-01 0.000000000000E+00 5.615538523839E-01 -5.900652538853E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.378281610729E-01 1.832786233921E-01 0.000000000000E+00 -3.577131010918E-01 3.124895527301E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.905076373019E-01 -1.819171947183E-01 0.000000000000E+00 4.786904505983E-01 -4.828670831193E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.188213946129E-01 1.405467303430E-01 0.000000000000E+00 -3.077294724280E-01 2.541769313254E-01 RangeSep LC 0.300000 diff --git a/test/prog/sktable/LCY-PBE96/Non-Relativistic/_N-O.skf b/test/prog/sktable/LCY-PBE96/Non-Relativistic/_N-O.skf index 09b088ed..8ee07d97 100644 --- a/test/prog/sktable/LCY-PBE96/Non-Relativistic/_N-O.skf +++ b/test/prog/sktable/LCY-PBE96/Non-Relativistic/_N-O.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 12 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -9,85 +9,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.246970334695E-01 -1.860683939120E+00 0.000000000000E+00 -2.170036783105E-02 -1.581468022581E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.441266922146E-01 8.287733694112E-01 0.000000000000E+00 -2.209648781438E-01 8.264960346370E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.537051945102E-01 -1.819649329541E+00 0.000000000000E+00 2.762286677268E-02 -1.564824301515E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.209141739085E-01 8.192169725578E-01 0.000000000000E+00 -2.307963600470E-01 8.204987621409E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.852874519259E-01 -1.779003120428E+00 0.000000000000E+00 7.601161893243E-02 -1.550336227824E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.976647855219E-01 8.095317861891E-01 0.000000000000E+00 -2.405712065322E-01 8.145378248460E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.194641713797E-01 -1.738787848057E+00 0.000000000000E+00 1.233053169196E-01 -1.537693048202E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.744149767195E-01 7.997289575220E-01 0.000000000000E+00 -2.502684334284E-01 8.086064956850E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.562421673476E-01 -1.699041445931E+00 0.000000000000E+00 1.693665792189E-01 -1.526610727886E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.511995756773E-01 7.898193705527E-01 0.000000000000E+00 -2.598679403739E-01 8.026978514935E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.956162432372E-01 -1.659797555916E+00 0.000000000000E+00 2.140793615319E-01 -1.516830899313E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.280517871710E-01 7.798136372881E-01 0.000000000000E+00 -2.693505579465E-01 7.968048897886E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.375706235254E-01 -1.621085827222E+00 0.000000000000E+00 2.573471635296E-01 -1.508119660507E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.050031972233E-01 7.697220904777E-01 0.000000000000E+00 -2.786980842968E-01 7.909206302872E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.820802796927E-01 -1.582932201433E+00 0.000000000000E+00 2.990913065382E-01 -1.500266271069E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.820837836184E-01 7.595547777301E-01 0.000000000000E+00 -2.878933122983E-01 7.850382023589E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.291121520322E-01 -1.545359182298E+00 0.000000000000E+00 3.392492902216E-01 -1.493081784738E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.593219316371E-01 7.493214569065E-01 0.000000000000E+00 -2.969200481611E-01 7.791509195808E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.862626919605E-02 -1.508386089549E+00 0.000000000000E+00 3.777732342737E-01 -1.486397650193E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.367444544155E-01 7.390315926857E-01 0.000000000000E+00 -3.057631223891E-01 7.732523425279E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.057676700583E-02 -1.472029296676E+00 0.000000000000E+00 4.146284097369E-01 -1.480064305968E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.143766173700E-01 7.286943542057E-01 0.000000000000E+00 -3.144083939009E-01 7.673363308812E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.508719186013E-02 -1.436302453205E+00 0.000000000000E+00 4.497918636266E-01 -1.473949790708E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.922421661753E-01 7.183186136905E-01 0.000000000000E+00 -3.228427480726E-01 7.613970858858E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.842059484632E-02 -1.401216692572E+00 0.000000000000E+00 4.832511395471E-01 -1.467938386092E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.703633578171E-01 7.079129459768E-01 0.000000000000E+00 -3.310540894063E-01 7.554291841320E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.948184907389E-02 -1.366780826988E+00 0.000000000000E+00 5.150030956119E-01 -1.461929306327E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.487609942799E-01 6.974856288602E-01 0.000000000000E+00 -3.390313294733E-01 7.494276035709E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.383321372476E-01 -1.333001530719E+00 0.000000000000E+00 5.450528191338E-01 -1.455835444788E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.274544584625E-01 6.870446441858E-01 0.000000000000E+00 -3.467643707319E-01 7.433877426172E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.750348516382E-01 -1.299883512986E+00 0.000000000000E+00 5.734126353956E-01 -1.449582185121E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.064617519476E-01 6.765976796132E-01 0.000000000000E+00 -3.542440867703E-01 7.373054331287E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.096550964223E-01 -1.267429681362E+00 0.000000000000E+00 6.001012057312E-01 -1.443106281057E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.857995342819E-01 6.661521309888E-01 0.000000000000E+00 -3.614622994803E-01 7.311769479922E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.422592481801E-01 -1.235641296159E+00 0.000000000000E+00 6.251427084926E-01 -1.436354806451E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.654831634540E-01 6.557151052647E-01 0.000000000000E+00 -3.684117536281E-01 7.249990039877E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.729145648720E-01 -1.204518116088E+00 0.000000000000E+00 6.485660955513E-01 -1.429284174917E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.455267372808E-01 6.452934239058E-01 0.000000000000E+00 -3.750860892420E-01 7.187687605461E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.016888349285E-01 -1.174058535276E+00 0.000000000000E+00 6.704044167914E-01 -1.421859226904E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.259431354466E-01 6.348936267315E-01 0.000000000000E+00 -3.814798122071E-01 7.124838149621E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.286500598486E-01 -1.144259711796E+00 0.000000000000E+00 6.906942055138E-01 -1.414052381205E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.067440619557E-01 6.245219761415E-01 0.000000000000E+00 -3.875882634155E-01 7.061421945725E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.538661655690E-01 -1.115117687838E+00 0.000000000000E+00 7.094749185357E-01 -1.405842847512E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.794008778981E-02 6.141844616793E-01 0.000000000000E+00 -3.934075867902E-01 6.997423463632E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.774047395565E-01 -1.086627501814E+00 0.000000000000E+00 7.267884258426E-01 -1.397215896642E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.954069357872E-02 6.038868048900E-01 0.000000000000E+00 -3.989346964707E-01 6.932831244218E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.993327919106E-01 -1.058783292703E+00 0.000000000000E+00 7.426785456824E-01 -1.388162185277E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.155431211692E-02 5.936344644319E-01 0.000000000000E+00 -4.041672434164E-01 6.867637756118E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.197165396598E-01 -1.031578397037E+00 0.000000000000E+00 7.571906218825E-01 -1.378677132333E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.398837057550E-02 5.834326414049E-01 0.000000000000E+00 -4.091035816609E-01 6.801839238051E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.386212139060E-01 -1.005005438921E+00 0.000000000000E+00 7.703711408115E-01 -1.368760344347E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.684933227875E-02 5.732862848614E-01 0.000000000000E+00 -4.137427344213E-01 6.735435529732E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.561108895846E-01 -9.790564135095E-01 0.000000000000E+00 7.822673858168E-01 -1.358415087477E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.427379309570E-04 5.632000974679E-01 0.000000000000E+00 -4.180843602459E-01 6.668429894036E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.722483374652E-01 -9.537227643163E-01 0.000000000000E+00 7.929271271492E-01 -1.347647803811E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.612675380578E-02 5.531785412888E-01 0.000000000000E+00 -4.221287193619E-01 6.600828832793E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.870948977430E-01 -9.289954547466E-01 0.000000000000E+00 8.023983454259E-01 -1.336467669722E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.195532646680E-02 5.432258436645E-01 0.000000000000E+00 -4.258766403633E-01 6.532641898290E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.007103742495E-01 -9.048650341883E-01 0.000000000000E+00 8.107289866258E-01 -1.324886194013E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.733996674460E-02 5.333460031609E-01 0.000000000000E+00 -4.293294873624E-01 6.463881502312E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.131529480360E-01 -8.813216989928E-01 0.000000000000E+00 8.179667465334E-01 -1.312916853526E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.227842631228E-02 5.235427955673E-01 0.000000000000E+00 -4.324891277106E-01 6.394562724326E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.244791088729E-01 -8.583553486530E-01 0.000000000000E+00 8.241588824833E-01 -1.300574763889E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.676918455848E-02 5.138197799233E-01 0.000000000000E+00 -4.353579003798E-01 6.324703120180E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.347436030959E-01 -8.359556374651E-01 0.000000000000E+00 8.293520502369E-01 -1.287876383049E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.081141227245E-02 5.041803045547E-01 0.000000000000E+00 -4.379385850800E-01 6.254322532529E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.439993961961E-01 -8.141120219481E-01 0.000000000000E+00 8.335921638437E-01 -1.274839245253E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.044049363080E-01 4.946275131044E-01 0.000000000000E+00 -4.402343721777E-01 6.183442903998E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.522976485827E-01 -7.928138042804E-01 0.000000000000E+00 8.369242764061E-01 -1.261481723196E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.175502052475E-01 4.851643505418E-01 0.000000000000E+00 -4.422488334664E-01 6.112088093959E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.596877030243E-01 -7.720501720030E-01 0.000000000000E+00 8.393924797739E-01 -1.247822816129E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.302482560805E-01 4.757935691378E-01 0.000000000000E+00 -4.439858938316E-01 6.040283699644E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.662170823773E-01 -7.518102342228E-01 0.000000000000E+00 8.410398213079E-01 -1.233881961795E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.425006819033E-01 4.665177343941E-01 0.000000000000E+00 -4.454498038431E-01 5.968056882197E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.719314963217E-01 -7.320830545442E-01 0.000000000000E+00 8.419082359857E-01 -1.219678870204E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.543096006425E-01 4.573392309156E-01 0.000000000000E+00 -4.466451132961E-01 5.895436198172E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.768748559395E-01 -7.128576809420E-01 0.000000000000E+00 8.420384922571E-01 -1.205233377341E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.656776247997E-01 4.482602682170E-01 0.000000000000E+00 -4.475766457209E-01 5.822451436849E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.810892950803E-01 -6.941231727822E-01 0.000000000000E+00 8.414701501843E-01 -1.190565317043E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.766078322088E-01 4.392828864567E-01 0.000000000000E+00 -4.482494738676E-01 5.749133463701E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.107549012904E-01 -3.025387911513E-01 0.000000000000E+00 6.372185494816E-01 -7.142327723355E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.289611534255E-01 2.163188413518E-01 0.000000000000E+00 -3.738731851342E-01 3.491018446978E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.555791178089E-01 -2.310298971521E-01 0.000000000000E+00 5.473376017095E-01 -5.815518995860E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.215517160175E-01 1.669439594235E-01 0.000000000000E+00 -3.279953496284E-01 2.850797221717E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.992716184466E-01 -1.761231910663E-01 0.000000000000E+00 4.618023429226E-01 -4.666996494399E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.989717038888E-01 1.270941658063E-01 0.000000000000E+00 -2.800994195852E-01 2.285046868325E-01 RangeSep LC 0.300000 diff --git a/test/prog/sktable/LCY-PBE96/Non-Relativistic/_O-N.skf b/test/prog/sktable/LCY-PBE96/Non-Relativistic/_O-N.skf index ed537327..ad5f4422 100644 --- a/test/prog/sktable/LCY-PBE96/Non-Relativistic/_O-N.skf +++ b/test/prog/sktable/LCY-PBE96/Non-Relativistic/_O-N.skf @@ -1,4 +1,4 @@ -0.020000 69 +0.200000 12 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -9,85 +9,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.246970334695E-01 -1.860683939120E+00 0.000000000000E+00 4.058680979270E-01 -1.581468022581E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.441266922146E-01 8.287733694112E-01 0.000000000000E+00 -3.134511935844E-01 8.264960346370E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.537051945102E-01 -1.819649329541E+00 0.000000000000E+00 4.504634810547E-01 -1.564824301515E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.209141739085E-01 8.192169725578E-01 0.000000000000E+00 -3.240531303874E-01 8.204987621409E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.852874519259E-01 -1.779003120428E+00 0.000000000000E+00 4.937171825033E-01 -1.550336227824E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.976647855219E-01 8.095317861891E-01 0.000000000000E+00 -3.344655176777E-01 8.145378248460E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.194641713797E-01 -1.738787848057E+00 0.000000000000E+00 5.355209994043E-01 -1.537693048202E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.744149767195E-01 7.997289575220E-01 0.000000000000E+00 -3.446718294912E-01 8.086064956850E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.562421673476E-01 -1.699041445931E+00 0.000000000000E+00 5.757857876936E-01 -1.526610727886E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.511995756773E-01 7.898193705527E-01 0.000000000000E+00 -3.546565156614E-01 8.026978514935E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.956162432372E-01 -1.659797555916E+00 0.000000000000E+00 6.144397994419E-01 -1.516830899313E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.280517871710E-01 7.798136372881E-01 0.000000000000E+00 -3.644050234304E-01 7.968048897886E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.375706235254E-01 -1.621085827222E+00 0.000000000000E+00 6.514270910817E-01 -1.508119660507E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.050031972233E-01 7.697220904777E-01 0.000000000000E+00 -3.739038107996E-01 7.909206302872E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.820802796927E-01 -1.582932201433E+00 0.000000000000E+00 6.867060091455E-01 -1.500266271069E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.820837836184E-01 7.595547777301E-01 0.000000000000E+00 -3.831403525427E-01 7.850382023589E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.291121520322E-01 -1.545359182298E+00 0.000000000000E+00 7.202477578529E-01 -1.493081784738E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.593219316371E-01 7.493214569065E-01 0.000000000000E+00 -3.921031397294E-01 7.791509195808E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.862626919605E-02 -1.508386089549E+00 0.000000000000E+00 7.520350514486E-01 -1.486397650193E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.367444544155E-01 7.390315926857E-01 0.000000000000E+00 -4.007816735362E-01 7.732523425279E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.057676700583E-02 -1.472029296676E+00 0.000000000000E+00 7.820608534510E-01 -1.480064305968E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.143766173700E-01 7.286943542057E-01 0.000000000000E+00 -4.091664540507E-01 7.673363308812E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.508719186013E-02 -1.436302453205E+00 0.000000000000E+00 8.103272044864E-01 -1.473949790708E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.922421661753E-01 7.183186136905E-01 0.000000000000E+00 -4.172489647177E-01 7.613970858858E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.842059484632E-02 -1.401216692572E+00 0.000000000000E+00 8.368441397881E-01 -1.467938386092E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.703633578171E-01 7.079129459768E-01 0.000000000000E+00 -4.250216530142E-01 7.554291841320E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.948184907389E-02 -1.366780826988E+00 0.000000000000E+00 8.616286964125E-01 -1.461929306327E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.487609942799E-01 6.974856288602E-01 0.000000000000E+00 -4.324779078886E-01 7.494276035709E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.383321372476E-01 -1.333001530719E+00 0.000000000000E+00 8.847040086815E-01 -1.455835444788E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.274544584625E-01 6.870446441858E-01 0.000000000000E+00 -4.396120344506E-01 7.433877426172E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.750348516382E-01 -1.299883512986E+00 0.000000000000E+00 9.060984885081E-01 -1.449582185121E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.064617519476E-01 6.765976796132E-01 0.000000000000E+00 -4.464192263519E-01 7.373054331287E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.096550964223E-01 -1.267429681362E+00 0.000000000000E+00 9.258450854546E-01 -1.443106281057E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.857995342819E-01 6.661521309888E-01 0.000000000000E+00 -4.528955362583E-01 7.311769479922E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.422592481801E-01 -1.235641296159E+00 0.000000000000E+00 9.439806199903E-01 -1.436354806451E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.654831634540E-01 6.557151052647E-01 0.000000000000E+00 -4.590378447724E-01 7.249990039877E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.729145648720E-01 -1.204518116088E+00 0.000000000000E+00 9.605451826876E-01 -1.429284174917E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.455267372808E-01 6.452934239058E-01 0.000000000000E+00 -4.648438281347E-01 7.187687605461E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.016888349285E-01 -1.174058535276E+00 0.000000000000E+00 9.755815920609E-01 -1.421859226904E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.259431354466E-01 6.348936267315E-01 0.000000000000E+00 -4.703119249964E-01 7.124838149621E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.286500598486E-01 -1.144259711796E+00 0.000000000000E+00 9.891349042899E-01 -1.414052381205E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.067440619557E-01 6.245219761415E-01 0.000000000000E+00 -4.754413025278E-01 7.061421945725E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.538661655690E-01 -1.115117687838E+00 0.000000000000E+00 1.001251968975E+00 -1.405842847512E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.794008778981E-02 6.141844616793E-01 0.000000000000E+00 -4.802318220998E-01 6.997423463632E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.774047395565E-01 -1.086627501814E+00 0.000000000000E+00 1.011981026115E+00 -1.397215896642E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.954069357872E-02 6.038868048900E-01 0.000000000000E+00 -4.846840047494E-01 6.932831244218E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.993327919106E-01 -1.058783292703E+00 0.000000000000E+00 1.021371340525E+00 -1.388162185277E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.155431211692E-02 5.936344644319E-01 0.000000000000E+00 -4.887989966195E-01 6.867637756118E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.197165396598E-01 -1.031578397037E+00 0.000000000000E+00 1.029472870742E+00 -1.378677132333E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.398837057550E-02 5.834326414049E-01 0.000000000000E+00 -4.925785345390E-01 6.801839238051E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.386212139060E-01 -1.005005438921E+00 0.000000000000E+00 1.036335970149E+00 -1.368760344347E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.684933227875E-02 5.732862848614E-01 0.000000000000E+00 -4.960249118925E-01 6.735435529732E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.561108895846E-01 -9.790564135095E-01 0.000000000000E+00 1.042011118432E+00 -1.358415087477E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.427379309570E-04 5.632000974679E-01 0.000000000000E+00 -4.991409449085E-01 6.668429894036E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.722483374652E-01 -9.537227643163E-01 0.000000000000E+00 1.046548681735E+00 -1.347647803811E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.612675380578E-02 5.531785412888E-01 0.000000000000E+00 -5.019299394808E-01 6.600828832793E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.870948977430E-01 -9.289954547466E-01 0.000000000000E+00 1.049998699939E+00 -1.336467669722E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.195532646680E-02 5.432258436645E-01 0.000000000000E+00 -5.043956586209E-01 6.532641898290E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.007103742495E-01 -9.048650341883E-01 0.000000000000E+00 1.052410699517E+00 -1.324886194013E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.733996674460E-02 5.333460031609E-01 0.000000000000E+00 -5.065422906261E-01 6.463881502312E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.131529480360E-01 -8.813216989928E-01 0.000000000000E+00 1.053833530322E+00 -1.312916853526E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.227842631228E-02 5.235427955673E-01 0.000000000000E+00 -5.083744180350E-01 6.394562724326E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.244791088729E-01 -8.583553486530E-01 0.000000000000E+00 1.054315224664E+00 -1.300574763889E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.676918455848E-02 5.138197799233E-01 0.000000000000E+00 -5.098969874311E-01 6.324703120180E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.347436030959E-01 -8.359556374651E-01 0.000000000000E+00 1.053902876962E+00 -1.287876383049E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.081141227245E-02 5.041803045547E-01 0.000000000000E+00 -5.111152801436E-01 6.254322532529E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.439993961961E-01 -8.141120219481E-01 0.000000000000E+00 1.052642542270E+00 -1.274839245253E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.044049363080E-01 4.946275131044E-01 0.000000000000E+00 -5.120348838854E-01 6.183442903998E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.522976485827E-01 -7.928138042804E-01 0.000000000000E+00 1.050579152023E+00 -1.261481723196E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.175502052475E-01 4.851643505418E-01 0.000000000000E+00 -5.126616653603E-01 6.112088093959E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.596877030243E-01 -7.720501720030E-01 0.000000000000E+00 1.047756445374E+00 -1.247822816129E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.302482560805E-01 4.757935691378E-01 0.000000000000E+00 -5.130017438612E-01 6.040283699644E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.662170823773E-01 -7.518102342228E-01 0.000000000000E+00 1.044216914591E+00 -1.233881961795E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.425006819033E-01 4.665177343941E-01 0.000000000000E+00 -5.130614658773E-01 5.968056882197E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.719314963217E-01 -7.320830545442E-01 0.000000000000E+00 1.040001763073E+00 -1.219678870204E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.543096006425E-01 4.573392309156E-01 0.000000000000E+00 -5.128473807184E-01 5.895436198172E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.768748559395E-01 -7.128576809420E-01 0.000000000000E+00 1.035150874644E+00 -1.205233377341E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.656776247997E-01 4.482602682170E-01 0.000000000000E+00 -5.123662171618E-01 5.822451436849E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.810892950803E-01 -6.941231727822E-01 0.000000000000E+00 1.029702792855E+00 -1.190565317043E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.766078322088E-01 4.392828864567E-01 0.000000000000E+00 -5.116248611184E-01 5.749133463701E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.107549012904E-01 -3.025387911513E-01 0.000000000000E+00 7.167611707065E-01 -7.142327723355E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.289611534255E-01 2.163188413518E-01 0.000000000000E+00 -3.990209545753E-01 3.491018446978E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.555791178089E-01 -2.310298971521E-01 0.000000000000E+00 6.054253814659E-01 -5.815518995860E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.215517160175E-01 1.669439594235E-01 0.000000000000E+00 -3.446957867438E-01 2.850797221717E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.992716184466E-01 -1.761231910663E-01 0.000000000000E+00 5.031464355340E-01 -4.666996494399E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.989717038888E-01 1.270941658063E-01 0.000000000000E+00 -2.903401573516E-01 2.285046868325E-01 RangeSep LC 0.300000 diff --git a/test/prog/sktable/LCY-PBE96/Non-Relativistic/_O-O.skf b/test/prog/sktable/LCY-PBE96/Non-Relativistic/_O-O.skf index d9811216..0fb282da 100644 --- a/test/prog/sktable/LCY-PBE96/Non-Relativistic/_O-O.skf +++ b/test/prog/sktable/LCY-PBE96/Non-Relativistic/_O-O.skf @@ -1,5 +1,5 @@ -0.020000 69 - 0.000000000000E+00 -3.759090141948E-01 -1.008183885828E+00 0.000000000000E+00 0.000000000000E+00 4.937268013626E-01 4.937268013626E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 +0.200000 12 + 0.000000000000E+00 -3.759090142085E-01 -1.008183885843E+00 0.000000000000E+00 0.000000000000E+00 4.937268011864E-01 4.937268011864E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 1.601000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 @@ -10,85 +10,8 @@ 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.498007152396E-01 -2.035353856985E+00 0.000000000000E+00 3.434917864615E-01 -1.758708119242E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.114246206595E-01 8.171514499535E-01 0.000000000000E+00 -2.905161000412E-01 8.269818583196E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.701008076076E-01 -1.986123469704E+00 0.000000000000E+00 3.973355821349E-01 -1.743335776129E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.871728932412E-01 8.068980713907E-01 0.000000000000E+00 -3.011643030815E-01 8.207070073994E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.938465145449E-01 -1.937533981525E+00 0.000000000000E+00 4.493078393415E-01 -1.729923633654E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.629655752695E-01 7.965282534953E-01 0.000000000000E+00 -3.116272934756E-01 8.144560818707E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.210223317324E-01 -1.889630820863E+00 0.000000000000E+00 4.992863581815E-01 -1.718120712603E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.388411235915E-01 7.860545154301E-01 0.000000000000E+00 -3.218851759801E-01 8.082206321755E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.515974463197E-01 -1.842453450545E+00 0.000000000000E+00 5.471748611007E-01 -1.707612067288E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.148358860410E-01 7.754890035370E-01 0.000000000000E+00 -3.319193580764E-01 8.019922673574E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.855278602120E-01 -1.796035829045E+00 0.000000000000E+00 5.929003890528E-01 -1.698116668045E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.909841248356E-01 7.648434846542E-01 0.000000000000E+00 -3.417125673003E-01 7.957627713740E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.227583263457E-01 -1.750406844381E+00 0.000000000000E+00 6.364108438457E-01 -1.689385189614E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.673180473343E-01 7.541293413034E-01 0.000000000000E+00 -3.512488577522E-01 7.895242007050E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.322410132927E-02 -1.705590720063E+00 0.000000000000E+00 6.776726847905E-01 -1.681197761105E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.438678431869E-01 7.433575685758E-01 0.000000000000E+00 -3.605136071034E-01 7.832689650300E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.852518273393E-03 -1.661607393693E+00 0.000000000000E+00 7.166687856179E-01 -1.673361722569E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.206617269806E-01 7.325387725623E-01 0.000000000000E+00 -3.694935053042E-01 7.769898926687E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.643561460362E-02 -1.618472869963E+00 0.000000000000E+00 7.533964555607E-01 -1.665709424397E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.977259855621E-01 7.216831701807E-01 0.000000000000E+00 -3.781765360946E-01 7.706802823834E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.672478087356E-02 -1.576199550358E+00 0.000000000000E+00 7.878656258215E-01 -1.658096098161E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.750850292808E-01 7.108005902613E-01 0.000000000000E+00 -3.865519523204E-01 7.643339430430E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.441036756707E-01 -1.534796541996E+00 0.000000000000E+00 8.200971991653E-01 -1.650397820357E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.527614464627E-01 6.999004757653E-01 0.000000000000E+00 -3.946102459698E-01 7.579452225469E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.886642622138E-01 -1.494269947664E+00 0.000000000000E+00 8.501215564794E-01 -1.642509583703E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.307760604839E-01 6.889918870146E-01 0.000000000000E+00 -4.023431137577E-01 7.515090273014E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.305009468733E-01 -1.454623138471E+00 0.000000000000E+00 8.779772105938E-01 -1.634343484423E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.091479888701E-01 6.780835058236E-01 0.000000000000E+00 -4.097434190091E-01 7.450208334403E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.697098544628E-01 -1.415857009938E+00 0.000000000000E+00 9.037095951590E-01 -1.625827028656E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.878947039018E-01 6.671836404280E-01 0.000000000000E+00 -4.168051505208E-01 7.384766908818E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.063881871035E-01 -1.377970221991E+00 0.000000000000E+00 9.273699752873E-01 -1.616901557079E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.670320942555E-01 6.563002311162E-01 0.000000000000E+00 -4.235233790134E-01 7.318732212166E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.406336528942E-01 -1.340959423139E+00 0.000000000000E+00 9.490144669238E-01 -1.607520784222E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.465745272574E-01 6.454408564732E-01 0.000000000000E+00 -4.298942117212E-01 7.252076103303E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.725439539710E-01 -1.304819459187E+00 0.000000000000E+00 9.687031531478E-01 -1.597649447424E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.265349113750E-01 6.346127401553E-01 0.000000000000E+00 -4.359147456161E-01 7.184775965782E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.022163267357E-01 -1.269543566985E+00 0.000000000000E+00 9.864992873623E-01 -1.587262059849E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.069247586079E-01 6.238227581191E-01 0.000000000000E+00 -4.415830197009E-01 7.116814552460E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.297471296530E-01 -1.235123553813E+00 0.000000000000E+00 1.002468575170E+00 -1.576341761996E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.775424648550E-02 6.130774462355E-01 0.000000000000E+00 -4.468979667670E-01 7.048179799570E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.552314758722E-01 -1.201549963163E+00 0.000000000000E+00 1.016678528383E+00 -1.564879266374E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.903227940915E-02 6.023830082235E-01 0.000000000000E+00 -4.518593649586E-01 6.978864616115E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.787629090113E-01 -1.168812227695E+00 0.000000000000E+00 1.029197885879E+00 -1.552871890443E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.076654911703E-02 5.917453238451E-01 0.000000000000E+00 -4.564677894505E-01 6.908866653828E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.004331208565E-01 -1.136898810151E+00 0.000000000000E+00 1.040096096909E+00 -1.540322673154E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.296359407657E-02 5.811699573076E-01 0.000000000000E+00 -4.607245645044E-01 6.838188062296E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.203317096684E-01 -1.105797333008E+00 0.000000000000E+00 1.049442862928E+00 -1.527239570666E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.562885764152E-02 5.706621658237E-01 0.000000000000E+00 -4.646317161349E-01 6.766835233336E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.385459774340E-01 -1.075494697585E+00 0.000000000000E+00 1.057307734276E+00 -1.513634726879E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.233255163255E-03 5.602269082853E-01 0.000000000000E+00 -4.681919255866E-01 6.694818538157E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.551607639521E-01 -1.045977193292E+00 0.000000000000E+00 1.063759758055E+00 -1.499523814409E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.761932234174E-02 5.498688540096E-01 0.000000000000E+00 -4.714084837893E-01 6.622152060428E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.702583152175E-01 -1.017230597652E+00 0.000000000000E+00 1.068867173518E+00 -1.484925441637E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.352685120123E-02 5.395923915222E-01 0.000000000000E+00 -4.742852469380E-01 6.548853327924E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.839181832174E-01 -9.892402676958E-01 0.000000000000E+00 1.072697151241E+00 -1.469860621375E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.895422627101E-02 5.294016373434E-01 0.000000000000E+00 -4.768265933146E-01 6.474943045051E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.962171541470E-01 -9.619912232954E-01 0.000000000000E+00 1.075315572344E+00 -1.454352296741E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.390065891647E-02 5.193004447497E-01 0.000000000000E+00 -4.790373814509E-01 6.400444828225E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.072292019233E-01 -9.354682229624E-01 0.000000000000E+00 1.076786844070E+00 -1.438424919854E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.836613868393E-02 5.092924124829E-01 0.000000000000E+00 -4.809229097087E-01 6.325384945764E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.170254640191E-01 -9.096558326228E-01 0.000000000000E+00 1.077173748170E+00 -1.422104079066E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.235138639657E-02 4.993808933848E-01 0.000000000000E+00 -4.824888773379E-01 6.249792063669E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.256742367742E-01 -8.845384878491E-01 0.000000000000E+00 1.076537318675E+00 -1.405416170604E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.058578090092E-01 4.895690029378E-01 0.000000000000E+00 -4.837413470564E-01 6.173696998460E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.332409875503E-01 -8.601005500062E-01 0.000000000000E+00 1.074936745885E+00 -1.388388110700E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.188874562187E-01 4.798596276917E-01 0.000000000000E+00 -4.846867091812E-01 6.097132477978E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.397883813359E-01 -8.363263567464E-01 0.000000000000E+00 1.072429303590E+00 -1.371047084466E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.314429788167E-01 4.702554335641E-01 0.000000000000E+00 -4.853316473282E-01 6.020132910906E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.453763196165E-01 -8.132002672678E-01 0.000000000000E+00 1.069070296810E+00 -1.353420328053E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.435275887628E-01 4.607588739991E-01 0.000000000000E+00 -4.856831056864E-01 5.942734165571E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.500619896174E-01 -7.907067027273E-01 0.000000000000E+00 1.064913027555E+00 -1.335534940837E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.551450209510E-01 4.513721979743E-01 0.000000000000E+00 -4.857482578624E-01 5.864973358463E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.538999221481E-01 -7.688301821776E-01 0.000000000000E+00 1.060008776334E+00 -1.317417724631E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.662994966330E-01 4.420974578468E-01 0.000000000000E+00 -4.855344772842E-01 5.786888652745E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.569420565507E-01 -7.475553543790E-01 0.000000000000E+00 1.054406797370E+00 -1.299095047156E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.769956884612E-01 4.329365170297E-01 0.000000000000E+00 -4.850493091425E-01 5.708519066964E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.592378113825E-01 -7.268670258140E-01 0.000000000000E+00 1.048154325657E+00 -1.280592727231E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.872386871058E-01 4.238910574948E-01 0.000000000000E+00 -4.843004438460E-01 5.629904294029E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.608341596403E-01 -7.067501852134E-01 0.000000000000E+00 1.041296594206E+00 -1.261935939333E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.970339694023E-01 4.149625870944E-01 0.000000000000E+00 -4.832956919578E-01 5.551084530462E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.323123398731E-01 -2.966682062976E-01 0.000000000000E+00 6.970599268866E-01 -7.050849562965E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.185407550142E-01 1.983793374769E-01 0.000000000000E+00 -3.677247376174E-01 3.211124342861E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.669893417883E-01 -2.242117361524E-01 0.000000000000E+00 5.823587214822E-01 -5.623398863672E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.055376693897E-01 1.518558705137E-01 0.000000000000E+00 -3.150252649564E-01 2.580800005033E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.033519512985E-01 -1.692420344184E-01 0.000000000000E+00 4.790722048650E-01 -4.424313954089E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.797596338226E-01 1.147468033141E-01 0.000000000000E+00 -2.632425578109E-01 2.036711831447E-01 RangeSep LC 0.300000 diff --git a/test/prog/sktable/LCY-PBE96/Non-Relativistic/skdef.hsd b/test/prog/sktable/LCY-PBE96/Non-Relativistic/skdef.hsd index 84ce5ed5..f5febca9 100644 --- a/test/prog/sktable/LCY-PBE96/Non-Relativistic/skdef.hsd +++ b/test/prog/sktable/LCY-PBE96/Non-Relativistic/skdef.hsd @@ -95,10 +95,10 @@ OnecenterParameters { TwoCenterParameters { $EqGrid = EquidistantGrid { - GridStart = 0.6 - GridSeparation = 0.02 + GridStart = 2.0 + GridSeparation = 0.2 Tolerance = 5e-5 - MaxDistance = -1.4 + MaxDistance = -2.5 } $SkTwocnt_300_150 = Sktwocnt { diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-C.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-C.skf index 07526047..44e82c35 100644 --- a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-C.skf +++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-C.skf @@ -1,72 +1,8 @@ -0.020000 69 - 0.000000000000E+00 -1.991451862259E-01 -5.008031449917E-01 -4.388315590133E-02 0.000000000000E+00 3.643020864178E-01 3.643020864178E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 +0.200000 5 + 0.000000000000E+00 -1.991451862435E-01 -5.008031450094E-01 -4.388315590105E-02 0.000000000000E+00 3.643020862136E-01 3.643020862136E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 1.201000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.844335644262E-01 -1.158831472154E+00 0.000000000000E+00 -1.532138107253E-01 -8.093734973696E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.679466317284E-01 8.813917702996E-01 0.000000000000E+00 -2.008133202018E-01 8.635402625062E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.456739148386E-01 -1.139675387004E+00 0.000000000000E+00 -1.314644054894E-01 -7.899972329040E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.492155997514E-01 8.742049263007E-01 0.000000000000E+00 -2.091727570098E-01 8.579340852825E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.076702831819E-01 -1.120517002295E+00 0.000000000000E+00 -1.095167671226E-01 -7.725882616683E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.302755305639E-01 8.668785823435E-01 0.000000000000E+00 -2.175449208067E-01 8.523697578710E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.704688294368E-01 -1.101380152281E+00 0.000000000000E+00 -8.746662402316E-02 -7.569935814207E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.111518006532E-01 8.594194715795E-01 0.000000000000E+00 -2.259178385112E-01 8.468472315748E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.341094893670E-01 -1.082287132412E+00 0.000000000000E+00 -6.540204147804E-02 -7.430661481405E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.918692547428E-01 8.518342736425E-01 0.000000000000E+00 -2.342796621806E-01 8.413658391291E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.986263375247E-01 -1.063258746510E+00 0.000000000000E+00 -4.340369106076E-02 -7.306652878918E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.724521787071E-01 8.441296067060E-01 0.000000000000E+00 -2.426187117679E-01 8.359243743955E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.640479492209E-01 -1.044314356167E+00 0.000000000000E+00 -2.154514110278E-02 -7.196569800234E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.529242758309E-01 8.363120201579E-01 0.000000000000E+00 -2.509235135005E-01 8.305211666342E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.303977591399E-01 -1.025471931862E+00 0.000000000000E+00 1.068369437573E-04 -7.099140318195E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.333086462072E-01 8.283879878655E-01 0.000000000000E+00 -2.591828341391E-01 8.251541494386E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.976944145427E-01 -1.006748105389E+00 0.000000000000E+00 2.149195078064E-02 -7.013161619075E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.136277690762E-01 8.203639020000E-01 0.000000000000E+00 -2.673857113701E-01 8.198209244618E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.659521212516E-01 -9.881582231795E-01 0.000000000000E+00 4.255606213579E-02 -6.937500073502E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.939034879173E-01 8.122460673942E-01 0.000000000000E+00 -2.755214805777E-01 8.145188200955E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.351809808330E-01 -9.697164001716E-01 0.000000000000E+00 6.325085769357E-02 -6.871090673208E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.741569981147E-01 8.040406964067E-01 0.000000000000E+00 -2.835797982309E-01 8.092449452912E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.053873176069E-01 -9.514355738986E-01 0.000000000000E+00 8.353351910261E-02 -6.812935945231E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.544088370239E-01 7.957539042660E-01 0.000000000000E+00 -2.915506621122E-01 8.039962387270E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.765739943028E-01 -9.333275585031E-01 0.000000000000E+00 1.033663946884E-01 -6.762104440231E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.346788762751E-01 7.873917048704E-01 0.000000000000E+00 -2.994244286068E-01 7.987695135420E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.487407153659E-01 -9.154030984129E-01 0.000000000000E+00 1.227166751482E-01 -6.717728878685E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.149863161581E-01 7.789600070194E-01 0.000000000000E+00 -3.071918272571E-01 7.935614978637E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.218843170837E-01 -8.976719214437E-01 0.000000000000E+00 1.415560751915E-01 -6.679004027475E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.953496819369E-01 7.704646110537E-01 0.000000000000E+00 -3.148439727817E-01 7.883688713607E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.599904386636E-02 -8.801427911144E-01 0.000000000000E+00 1.598605228054E-01 -6.645184369675E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.757868219536E-01 7.619112058811E-01 0.000000000000E+00 -3.223723747470E-01 7.831882980539E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.107681016807E-02 -8.628235579903E-01 0.000000000000E+00 1.776098575654E-01 -6.615581621732E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.563149073838E-01 7.533053663678E-01 0.000000000000E+00 -3.297689450676E-01 7.780164556171E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.710744768484E-02 -8.457212098886E-01 0.000000000000E+00 1.947875391758E-01 -6.589562144805E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.369504335161E-01 7.446525510737E-01 0.000000000000E+00 -3.370260035077E-01 7.728500613953E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.407893761315E-02 -8.288419208025E-01 0.000000000000E+00 2.113803672052E-01 -6.566544290381E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.177092224306E-01 7.359581003121E-01 0.000000000000E+00 -3.441362813401E-01 7.676858953619E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.977627895172E-03 -8.121910984215E-01 0.000000000000E+00 2.273782127786E-01 -6.545995714444E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.986064269615E-01 7.272272345152E-01 0.000000000000E+00 -3.510929233180E-01 7.625208202334E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.921156448245E-02 -7.957734301444E-01 0.000000000000E+00 2.427737627972E-01 -6.527430689328E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.796565358309E-01 7.184650528866E-01 0.000000000000E+00 -3.578894880994E-01 7.573517989475E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.950496593345E-02 -7.795929275007E-01 0.000000000000E+00 2.575622770814E-01 -6.510407437716E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.608733798514E-01 7.096765323240E-01 0.000000000000E+00 -3.645199472612E-01 7.521759097061E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.891997312861E-02 -7.636529689143E-01 0.000000000000E+00 2.717413586636E-01 -6.494525509193E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.422701390959E-01 7.008665265945E-01 0.000000000000E+00 -3.709786830301E-01 7.469903587751E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.747489381227E-02 -7.479563407598E-01 0.000000000000E+00 2.853107373042E-01 -6.479423216033E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.238593509424E-01 6.920397657477E-01 0.000000000000E+00 -3.772604848491E-01 7.417924912209E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.518880101983E-02 -7.325052766806E-01 0.000000000000E+00 2.982720661651E-01 -6.464775141662E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.056529189049E-01 6.832008557490E-01 0.000000000000E+00 -3.833605448931E-01 7.365797997599E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.120814000459E-01 -7.173014951507E-01 0.000000000000E+00 3.106287314447E-01 -6.450289732308E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.876621221688E-01 6.743542783217E-01 0.000000000000E+00 -3.892744526402E-01 7.313499318803E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.281729074401E-01 -7.023462352795E-01 0.000000000000E+00 3.223856746716E-01 -6.435706979764E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.698976257503E-01 6.655043909808E-01 0.000000000000E+00 -3.949981885962E-01 7.261006953942E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.434839412565E-01 -6.876402908704E-01 0.000000000000E+00 3.335492272548E-01 -6.420796200934E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.523694912109E-01 6.566554272468E-01 0.000000000000E+00 -4.005281172669E-01 7.208300625611E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.580354217504E-01 -6.731840427574E-01 0.000000000000E+00 3.441269568197E-01 -6.405353917874E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.350871878549E-01 6.478114970263E-01 0.000000000000E+00 -4.058609794645E-01 7.155361729208E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.718484817096E-01 -6.589774894533E-01 0.000000000000E+00 3.541275247924E-01 -6.389201840322E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.180596043501E-01 6.389765871477E-01 0.000000000000E+00 -4.109938840294E-01 7.102173349611E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.849443856176E-01 -6.450202761529E-01 0.000000000000E+00 3.635605546632E-01 -6.372184951331E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.012950607097E-01 6.301545620394E-01 0.000000000000E+00 -4.159242990430E-01 7.048720267392E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.973444568705E-01 -6.313117221417E-01 0.000000000000E+00 3.724365103321E-01 -6.354169695421E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.480132058398E-02 6.213491645412E-01 0.000000000000E+00 -4.206500426025E-01 6.994988955656E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.090700123185E-01 -6.178508466661E-01 0.000000000000E+00 3.807665839323E-01 -6.335042267720E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.858560380746E-02 6.125640168368E-01 0.000000000000E+00 -4.251692732223E-01 6.940967568533E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.201423034453E-01 -6.046363933248E-01 0.000000000000E+00 3.885625925333E-01 -6.314707001828E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.265459915856E-02 6.038026214989E-01 0.000000000000E+00 -4.294804799237E-01 6.886645922269E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.305824635666E-01 -5.916668530453E-01 0.000000000000E+00 3.958368831398E-01 -6.293084853567E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.701447728616E-02 5.950683626365E-01 0.000000000000E+00 -4.335824720679E-01 6.832015469775E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.404114604802E-01 -5.789404857090E-01 0.000000000000E+00 4.026022454258E-01 -6.270111977374E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.167090376484E-02 5.863645071372E-01 0.000000000000E+00 -4.374743689854E-01 6.777069269451E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.496500540683E-01 -5.664553404895E-01 0.000000000000E+00 4.088718316719E-01 -6.245738391801E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.629052242417E-03 5.776942059937E-01 0.000000000000E+00 -4.411555894482E-01 6.721801949017E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.583187584058E-01 -5.542092749689E-01 0.000000000000E+00 4.146590834052E-01 -6.219926730425E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.106382353268E-03 5.690604957097E-01 0.000000000000E+00 -4.446258410300E-01 6.666209665036E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.664378079828E-01 -5.421999730928E-01 0.000000000000E+00 4.199776642756E-01 -6.192651074365E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.253117057824E-02 5.604662997749E-01 0.000000000000E+00 -4.478851093931E-01 6.610290058741E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.740271276977E-01 -5.304249620266E-01 0.000000000000E+00 4.248413987335E-01 -6.163895862595E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.664153523430E-02 5.519144302048E-01 0.000000000000E+00 -4.509336475409E-01 6.554042208747E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.844335644435E-01 -1.158831472180E+00 0.000000000000E+00 -1.532138107264E-01 -8.093734973865E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.679466317280E-01 8.813917702995E-01 0.000000000000E+00 -2.008133202007E-01 8.635402625057E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.351809808423E-01 -9.697164001948E-01 0.000000000000E+00 6.325085769515E-02 -6.871090673345E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.741569981141E-01 8.040406964065E-01 0.000000000000E+00 -2.835797982296E-01 8.092449452905E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.921156448032E-02 -7.957734301640E-01 0.000000000000E+00 2.427737628017E-01 -6.527430689447E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.796565358299E-01 7.184650528863E-01 0.000000000000E+00 -3.578894880981E-01 7.573517989466E-01 diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-O.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-O.skf index 51973ad6..cb4fefea 100644 --- a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-O.skf +++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-O.skf @@ -1,71 +1,7 @@ -0.020000 69 +0.200000 5 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.686339489004E-01 -1.469337820029E+00 0.000000000000E+00 -3.956387801498E-01 -1.016832164944E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.797772864651E-01 8.272580013917E-01 0.000000000000E+00 -1.243343367013E-01 8.028635544958E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.141719597777E-01 -1.439399960177E+00 0.000000000000E+00 -3.576811112027E-01 -1.003378391744E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.590145783887E-01 8.189402090230E-01 0.000000000000E+00 -1.323054988897E-01 7.978386164078E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.613960816559E-01 -1.409657521302E+00 0.000000000000E+00 -3.197965759724E-01 -9.919735365729E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.381416649061E-01 8.104916398633E-01 0.000000000000E+00 -1.403589598873E-01 7.928580109422E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.103406879293E-01 -1.380144379898E+00 0.000000000000E+00 -2.821504742031E-01 -9.823716125952E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.171895669475E-01 8.019213159742E-01 0.000000000000E+00 -1.484751113314E-01 7.879165848673E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.610299725038E-01 -1.350891285863E+00 0.000000000000E+00 -2.448899266925E-01 -9.743443286428E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.961881856798E-01 7.932380939515E-01 0.000000000000E+00 -1.566347807728E-01 7.830088271502E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.134789097240E-01 -1.321926032137E+00 0.000000000000E+00 -2.081450133700E-01 -9.676807328290E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.751662888507E-01 7.844506563623E-01 0.000000000000E+00 -1.648192964235E-01 7.781289740732E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.676941646783E-01 -1.293273622058E+00 0.000000000000E+00 -1.720299094363E-01 -9.621867066080E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.541515023627E-01 7.755675043028E-01 0.000000000000E+00 -1.730105425914E-01 7.732711030468E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.236749516665E-01 -1.264956433475E+00 0.000000000000E+00 -1.366440069935E-01 -9.576843455673E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.331703065845E-01 7.665969510010E-01 0.000000000000E+00 -1.811910065207E-01 7.684292157982E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.814138394659E-01 -1.236994378853E+00 0.000000000000E+00 -1.020730118714E-01 -9.540112572765E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.122480369365E-01 7.575471163892E-01 0.000000000000E+00 -1.893438173294E-01 7.635973116300E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.408975028112E-01 -1.209405060693E+00 0.000000000000E+00 -6.839000735595E-02 -9.510198014476E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.914088883220E-01 7.484259225772E-01 0.000000000000E+00 -1.974527777006E-01 7.587694514510E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.021074202121E-01 -1.182203921764E+00 0.000000000000E+00 -3.565647830272E-02 -9.485762933346E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.706759230000E-01 7.392410901583E-01 0.000000000000E+00 -2.055023889555E-01 7.539398132678E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.502051888310E-02 -1.155404389719E+00 0.000000000000E+00 -3.923290684697E-03 -9.465601876009E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.500710815275E-01 7.300001352872E-01 0.000000000000E+00 -2.134778701036E-01 7.491027398126E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.960976813235E-02 -1.129018015787E+00 0.000000000000E+00 2.676837698576E-02 -9.448632567123E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.296151964219E-01 7.207103674678E-01 0.000000000000E+00 -2.213651714302E-01 7.442527789630E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.155276942050E-03 -1.103054607341E+00 0.000000000000E+00 5.638615270082E-02 -9.433887751921E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.093280082226E-01 7.113788879966E-01 0.000000000000E+00 -2.291509831518E-01 7.393847175780E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.630797918795E-02 -1.077522354185E+00 0.000000000000E+00 8.490564174153E-02 -9.420507187406E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.892281836514E-01 7.020125890078E-01 0.000000000000E+00 -2.368227396366E-01 7.344936093519E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.688416798479E-02 -1.052427948546E+00 0.000000000000E+00 1.123096495626E-01 -9.407729852315E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.693333355954E-01 6.926181530696E-01 0.000000000000E+00 -2.443686196555E-01 7.295747972486E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.592172987071E-02 -1.027776698750E+00 0.000000000000E+00 1.385874563669E-01 -9.394886428906E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.496600446582E-01 6.832020532853E-01 0.000000000000E+00 -2.517775430992E-01 7.246239310536E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.234602382736E-01 -1.003572636687E+00 0.000000000000E+00 1.637341423278E-01 -9.381392095347E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.302238820441E-01 6.737705538548E-01 0.000000000000E+00 -2.590391645658E-01 7.196369805412E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.495406193684E-01 -9.798186191676E-01 0.000000000000E+00 1.877499619184E-01 -9.366739655363E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.110394335589E-01 6.643297110541E-01 0.000000000000E+00 -2.661438641947E-01 7.146102447261E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.742048511235E-01 -9.565164233467E-01 0.000000000000E+00 2.106397654299E-01 -9.350493021898E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.921203245312E-01 6.548853745952E-01 0.000000000000E+00 -2.730827360965E-01 7.095403576315E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.974956927047E-01 -9.336668364094E-01 0.000000000000E+00 2.324124654966E-01 -9.332281063355E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.734792454733E-01 6.454431893282E-01 0.000000000000E+00 -2.798475746972E-01 7.044242909772E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.194564415636E-01 -9.112697397324E-01 0.000000000000E+00 2.530805462768E-01 -9.311791814484E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.551279783164E-01 6.360085972525E-01 0.000000000000E+00 -2.864308592955E-01 6.992593541569E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.401307157253E-01 -8.893241877617E-01 0.000000000000E+00 2.726596128517E-01 -9.288767048810E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.370774230737E-01 6.265868398048E-01 0.000000000000E+00 -2.928257371014E-01 6.940431918471E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.595622589985E-01 -8.678284818485E-01 0.000000000000E+00 2.911679783855E-01 -9.262997205549E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.193376247932E-01 6.171829603939E-01 0.000000000000E+00 -2.990260050050E-01 6.887737795585E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.777947670450E-01 -8.467802392915E-01 0.000000000000E+00 3.086262866201E-01 -9.234316660987E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.019178006828E-01 6.078018071553E-01 0.000000000000E+00 -3.050260903019E-01 6.834494174162E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.948717324501E-01 -8.261764578355E-01 0.000000000000E+00 3.250571673444E-01 -9.202599332149E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.482636729548E-02 5.984480358984E-01 0.000000000000E+00 -3.108210305785E-01 6.780687224270E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.108363071275E-01 -8.060135758678E-01 0.000000000000E+00 3.404849225741E-01 -9.167754599095E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.807096767937E-02 5.891261132238E-01 0.000000000000E+00 -3.164064529430E-01 6.726306194712E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.257311805693E-01 -7.862875285514E-01 0.000000000000E+00 3.549352412814E-01 -9.129723531237E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.165849840656E-02 5.798403197874E-01 0.000000000000E+00 -3.217785527700E-01 6.671343312297E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.395984726019E-01 -7.669938001242E-01 0.000000000000E+00 3.684349406354E-01 -9.088475402515E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.559513640336E-02 5.705947536920E-01 0.000000000000E+00 -3.269340721067E-01 6.615793672406E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.524796394459E-01 -7.481274725818E-01 0.000000000000E+00 3.810117318269E-01 -9.044004480059E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.988636551630E-02 5.613933339854E-01 0.000000000000E+00 -3.318702778758E-01 6.559655122563E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.644153919894E-01 -7.296832709555E-01 0.000000000000E+00 3.926940086719E-01 -8.996327070971E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.537002755182E-03 5.522398042499E-01 0.000000000000E+00 -3.365849399939E-01 6.502928140567E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.754456252843E-01 -7.116556053828E-01 0.000000000000E+00 4.035106572975E-01 -8.945478812066E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.044877583678E-02 5.431377362657E-01 0.000000000000E+00 -3.410763095088E-01 6.445615708556E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.856093583546E-01 -6.940386101591E-01 0.000000000000E+00 4.134908853221E-01 -8.891512187745E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.506740972895E-02 5.340905337331E-01 0.000000000000E+00 -3.453430968513E-01 6.387723184228E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.949446834799E-01 -6.768261799500E-01 0.000000000000E+00 4.226640690422E-01 -8.834494261583E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.931592890156E-02 5.251014360415E-01 0.000000000000E+00 -3.493844502794E-01 6.329258170312E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.034887241736E-01 -6.600120033317E-01 0.000000000000E+00 4.310596172334E-01 -8.774504607727E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.319192932657E-02 5.161735220716E-01 0.000000000000E+00 -3.531999345860E-01 6.270230383232E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.112776011316E-01 -6.435895938200E-01 0.000000000000E+00 4.387068502603E-01 -8.711633428713E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.669354895606E-02 5.073097140203E-01 0.000000000000E+00 -3.567895101314E-01 6.210651521808E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.183464054728E-01 -6.275523185379E-01 0.000000000000E+00 4.456348932758E-01 -8.645979846909E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.981944423790E-02 4.985127812368E-01 0.000000000000E+00 -3.601535122505E-01 6.150535136726E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.247291786335E-01 -6.118934246655E-01 0.000000000000E+00 4.518725823656E-01 -8.577650357342E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.256876717421E-02 4.897853440629E-01 0.000000000000E+00 -3.632926310791E-01 6.089896501404E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.304588983199E-01 -5.966060638059E-01 0.000000000000E+00 4.574483825701E-01 -8.506757430284E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.049411429340E-01 4.811298776669E-01 0.000000000000E+00 -3.662078918350E-01 6.028752484802E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.355674699554E-01 -5.816833143962E-01 0.000000000000E+00 4.623903167825E-01 -8.433418252551E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.169366480279E-01 4.725487158649E-01 0.000000000000E+00 -3.689006355834E-01 5.967121426641E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.686339489023E-01 -1.469337820077E+00 0.000000000000E+00 -3.956387801889E-01 -1.016832164946E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.797772864414E-01 8.272580013744E-01 0.000000000000E+00 -1.243343366807E-01 8.028635544732E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.021074201945E-01 -1.182203921798E+00 0.000000000000E+00 -3.565647832136E-02 -9.485762933394E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.706759229744E-01 7.392410901391E-01 0.000000000000E+00 -2.055023889346E-01 7.539398132465E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.974956927311E-01 -9.336668364317E-01 0.000000000000E+00 2.324124654928E-01 -9.332281063442E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.734792454494E-01 6.454431893079E-01 0.000000000000E+00 -2.798475746779E-01 7.044242909580E-01 diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-C.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-C.skf index 95e81d76..8a250d5e 100644 --- a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-C.skf +++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-C.skf @@ -1,71 +1,7 @@ -0.020000 69 +0.200000 5 0.000000000000E+00 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.686339489004E-01 -1.469337820029E+00 0.000000000000E+00 3.723228695638E-01 -1.016832164944E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.797772864651E-01 8.272580013917E-01 0.000000000000E+00 -3.381931435904E-01 8.028635544958E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.141719597777E-01 -1.439399960177E+00 0.000000000000E+00 4.048110331490E-01 -1.003378391744E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.590145783887E-01 8.189402090230E-01 0.000000000000E+00 -3.489248185523E-01 7.978386164078E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.613960816559E-01 -1.409657521302E+00 0.000000000000E+00 4.364449439282E-01 -9.919735365729E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.381416649061E-01 8.104916398633E-01 0.000000000000E+00 -3.594688476156E-01 7.928580109422E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.103406879293E-01 -1.380144379898E+00 0.000000000000E+00 4.671446442509E-01 -9.823716125952E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.171895669475E-01 8.019213159742E-01 0.000000000000E+00 -3.698122589387E-01 7.879165848673E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.610299725038E-01 -1.350891285863E+00 0.000000000000E+00 4.968424091019E-01 -9.743443286428E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.961881856798E-01 7.932380939515E-01 0.000000000000E+00 -3.799427618865E-01 7.830088271502E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.134789097240E-01 -1.321926032137E+00 0.000000000000E+00 5.254818080989E-01 -9.676807328290E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.751662888507E-01 7.844506563623E-01 0.000000000000E+00 -3.898487685363E-01 7.781289740732E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.676941646783E-01 -1.293273622058E+00 0.000000000000E+00 5.530167948407E-01 -9.621867066080E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.541515023627E-01 7.755675043028E-01 0.000000000000E+00 -3.995194092319E-01 7.732711030468E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.236749516665E-01 -1.264956433475E+00 0.000000000000E+00 5.794108295001E-01 -9.576843455673E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.331703065845E-01 7.665969510010E-01 0.000000000000E+00 -4.089445427872E-01 7.684292157982E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.814138394659E-01 -1.236994378853E+00 0.000000000000E+00 6.046360391573E-01 -9.540112572765E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.122480369365E-01 7.575471163892E-01 0.000000000000E+00 -4.181147618985E-01 7.635973116300E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.408975028112E-01 -1.209405060693E+00 0.000000000000E+00 6.286724191639E-01 -9.510198014476E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.914088883220E-01 7.484259225772E-01 0.000000000000E+00 -4.270213942818E-01 7.587694514510E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.021074202121E-01 -1.182203921764E+00 0.000000000000E+00 6.515070777878E-01 -9.485762933346E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.706759230000E-01 7.392410901583E-01 0.000000000000E+00 -4.356565000129E-01 7.539398132678E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.502051888310E-02 -1.155404389719E+00 0.000000000000E+00 6.731335254767E-01 -9.465601876009E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.500710815275E-01 7.300001352872E-01 0.000000000000E+00 -4.440128655102E-01 7.491027398126E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.960976813235E-02 -1.129018015787E+00 0.000000000000E+00 6.935510092965E-01 -9.448632567123E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.296151964219E-01 7.207103674678E-01 0.000000000000E+00 -4.520839945620E-01 7.442527789630E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.155276942050E-03 -1.103054607341E+00 0.000000000000E+00 7.127638924177E-01 -9.433887751921E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.093280082226E-01 7.113788879966E-01 0.000000000000E+00 -4.598640967703E-01 7.393847175780E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.630797918795E-02 -1.077522354185E+00 0.000000000000E+00 7.307810779495E-01 -9.420507187406E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.892281836514E-01 7.020125890078E-01 0.000000000000E+00 -4.673480737469E-01 7.344936093519E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.688416798479E-02 -1.052427948546E+00 0.000000000000E+00 7.476154759395E-01 -9.407729852315E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.693333355954E-01 6.926181530696E-01 0.000000000000E+00 -4.745315033719E-01 7.295747972486E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.592172987071E-02 -1.027776698750E+00 0.000000000000E+00 7.632835119733E-01 -9.394886428906E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.496600446582E-01 6.832020532853E-01 0.000000000000E+00 -4.814106223959E-01 7.246239310536E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.234602382736E-01 -1.003572636687E+00 0.000000000000E+00 7.778046755159E-01 -9.381392095347E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.302238820441E-01 6.737705538548E-01 0.000000000000E+00 -4.879823076404E-01 7.196369805412E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.495406193684E-01 -9.798186191676E-01 0.000000000000E+00 7.912011059269E-01 -9.366739655363E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.110394335589E-01 6.643297110541E-01 0.000000000000E+00 -4.942440560313E-01 7.146102447261E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.742048511235E-01 -9.565164233467E-01 0.000000000000E+00 8.034972139560E-01 -9.350493021898E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.921203245312E-01 6.548853745952E-01 0.000000000000E+00 -5.001939636745E-01 7.095403576315E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.974956927047E-01 -9.336668364094E-01 0.000000000000E+00 8.147193364643E-01 -9.332281063355E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.734792454733E-01 6.454431893282E-01 0.000000000000E+00 -5.058307041660E-01 7.044242909772E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.194564415636E-01 -9.112697397324E-01 0.000000000000E+00 8.248954221193E-01 -9.311791814484E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.551279783164E-01 6.360085972525E-01 0.000000000000E+00 -5.111535063083E-01 6.992593541569E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.401307157253E-01 -8.893241877617E-01 0.000000000000E+00 8.340547458570E-01 -9.288767048810E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.370774230737E-01 6.265868398048E-01 0.000000000000E+00 -5.161621313906E-01 6.940431918471E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.595622589985E-01 -8.678284818485E-01 0.000000000000E+00 8.422276499893E-01 -9.262997205549E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.193376247932E-01 6.171829603939E-01 0.000000000000E+00 -5.208568501712E-01 6.887737795585E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.777947670450E-01 -8.467802392915E-01 0.000000000000E+00 8.494453099387E-01 -9.234316660987E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.019178006828E-01 6.078018071553E-01 0.000000000000E+00 -5.252384196897E-01 6.834494174162E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.948717324501E-01 -8.261764578355E-01 0.000000000000E+00 8.557395227061E-01 -9.202599332149E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.482636729548E-02 5.984480358984E-01 0.000000000000E+00 -5.293080600223E-01 6.780687224270E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.108363071275E-01 -8.060135758678E-01 0.000000000000E+00 8.611425163021E-01 -9.167754599095E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.807096767937E-02 5.891261132238E-01 0.000000000000E+00 -5.330674310792E-01 6.726306194712E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.257311805693E-01 -7.862875285514E-01 0.000000000000E+00 8.656867785006E-01 -9.129723531237E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.165849840656E-02 5.798403197874E-01 0.000000000000E+00 -5.365186095365E-01 6.671343312297E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.395984726019E-01 -7.669938001242E-01 0.000000000000E+00 8.694049033951E-01 -9.088475402515E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.559513640336E-02 5.705947536920E-01 0.000000000000E+00 -5.396640659805E-01 6.615793672406E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.524796394459E-01 -7.481274725818E-01 0.000000000000E+00 8.723294543561E-01 -9.044004480059E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.988636551630E-02 5.613933339854E-01 0.000000000000E+00 -5.425066423358E-01 6.559655122563E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.644153919894E-01 -7.296832709555E-01 0.000000000000E+00 8.744928420905E-01 -8.996327070971E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.537002755182E-03 5.522398042499E-01 0.000000000000E+00 -5.450495296382E-01 6.502928140567E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.754456252843E-01 -7.116556053828E-01 0.000000000000E+00 8.759272166073E-01 -8.945478812066E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.044877583678E-02 5.431377362657E-01 0.000000000000E+00 -5.472962462067E-01 6.445615708556E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.856093583546E-01 -6.940386101591E-01 0.000000000000E+00 8.766643719781E-01 -8.891512187745E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.506740972895E-02 5.340905337331E-01 0.000000000000E+00 -5.492506162613E-01 6.387723184228E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.949446834799E-01 -6.768261799500E-01 0.000000000000E+00 8.767356628639E-01 -8.834494261583E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.931592890156E-02 5.251014360415E-01 0.000000000000E+00 -5.509167490264E-01 6.329258170312E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.034887241736E-01 -6.600120033317E-01 0.000000000000E+00 8.761719318524E-01 -8.774504607727E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.319192932657E-02 5.161735220716E-01 0.000000000000E+00 -5.522990183538E-01 6.270230383232E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.112776011316E-01 -6.435895938200E-01 0.000000000000E+00 8.750034467156E-01 -8.711633428713E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.669354895606E-02 5.073097140203E-01 0.000000000000E+00 -5.534020428932E-01 6.210651521808E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.183464054728E-01 -6.275523185379E-01 0.000000000000E+00 8.732598467589E-01 -8.645979846909E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.981944423790E-02 4.985127812368E-01 0.000000000000E+00 -5.542306668347E-01 6.150535136726E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.247291786335E-01 -6.118934246655E-01 0.000000000000E+00 8.709700974883E-01 -8.577650357342E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.256876717421E-02 4.897853440629E-01 0.000000000000E+00 -5.547899412406E-01 6.089896501404E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.304588983199E-01 -5.966060638059E-01 0.000000000000E+00 8.681624528737E-01 -8.506757430284E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.049411429340E-01 4.811298776669E-01 0.000000000000E+00 -5.550851059821E-01 6.028752484802E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.355674699554E-01 -5.816833143962E-01 0.000000000000E+00 8.648644245347E-01 -8.433418252551E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.169366480279E-01 4.725487158649E-01 0.000000000000E+00 -5.551215722907E-01 5.967121426641E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.686339489023E-01 -1.469337820077E+00 0.000000000000E+00 3.723228695899E-01 -1.016832164946E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.797772864414E-01 8.272580013744E-01 0.000000000000E+00 -3.381931436063E-01 8.028635544732E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.021074201945E-01 -1.182203921798E+00 0.000000000000E+00 6.515070778231E-01 -9.485762933394E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.706759229744E-01 7.392410901391E-01 0.000000000000E+00 -4.356565000304E-01 7.539398132465E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.974956927311E-01 -9.336668364317E-01 0.000000000000E+00 8.147193365012E-01 -9.332281063442E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.734792454494E-01 6.454431893079E-01 0.000000000000E+00 -5.058307041817E-01 7.044242909580E-01 diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-O.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-O.skf index a619c38c..6bbe7508 100644 --- a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-O.skf +++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-O.skf @@ -1,72 +1,8 @@ -0.020000 69 - 0.000000000000E+00 -3.382615309271E-01 -8.712170440733E-01 0.000000000000E+00 0.000000000000E+00 4.946289886562E-01 4.946289886562E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 +0.200000 5 + 0.000000000000E+00 -3.382615309182E-01 -8.712170440684E-01 0.000000000000E+00 0.000000000000E+00 4.946289884560E-01 4.946289884560E-01 0.000000000000E+00 4.000000000000E+00 2.000000000000E+00 1.601000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.326190935645E-01 -1.880830124308E+00 0.000000000000E+00 2.471691470686E-01 -1.428102965249E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.091855466982E-01 8.160930793488E-01 0.000000000000E+00 -2.875578384015E-01 8.274780560328E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.567485641871E-01 -1.832880446807E+00 0.000000000000E+00 2.983763043403E-01 -1.415080769001E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.849088297428E-01 8.058011883910E-01 0.000000000000E+00 -2.981926612102E-01 8.212417559567E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.843957103756E-01 -1.785611675449E+00 0.000000000000E+00 3.477554272224E-01 -1.404027976808E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.606847140361E-01 7.953946124391E-01 0.000000000000E+00 -3.086453389762E-01 8.150305431199E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.155360568439E-01 -1.739068177080E+00 0.000000000000E+00 3.951869752604E-01 -1.394595314817E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.365515319808E-01 7.848859576827E-01 0.000000000000E+00 -3.188957229509E-01 8.088358387737E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.501296465289E-01 -1.693288145782E+00 0.000000000000E+00 4.405774875116E-01 -1.386469498149E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.125454462893E-01 7.742874426841E-01 0.000000000000E+00 -3.289249931476E-01 8.026491245344E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.812322679558E-02 -1.648304074064E+00 0.000000000000E+00 4.838569425054E-01 -1.379371102174E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.887004795642E-01 7.636108921659E-01 0.000000000000E+00 -3.387156760111E-01 7.964620605553E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.945224142041E-02 -1.604143203527E+00 0.000000000000E+00 5.249762695080E-01 -1.373052343781E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.650485513728E-01 7.528677327626E-01 0.000000000000E+00 -3.482516506773E-01 7.902665846321E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.595736508621E-02 -1.560827953747E+00 0.000000000000E+00 5.639050195286E-01 -1.367294828827E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.416195217385E-01 7.420689905518E-01 0.000000000000E+00 -3.575181452231E-01 7.840549940326E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.818752196094E-02 -1.518376328537E+00 0.000000000000E+00 6.006292000386E-01 -1.361907309962E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.184412400626E-01 7.312252901931E-01 0.000000000000E+00 -3.665017241961E-01 7.778200117655E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.273265748736E-01 -1.476802299214E+00 0.000000000000E+00 6.351492736475E-01 -1.356723488976E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.955395985704E-01 7.203468555141E-01 0.000000000000E+00 -3.751902686059E-01 7.715548389157E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.734679850635E-01 -1.436116164818E+00 0.000000000000E+00 6.674783179732E-01 -1.351599889282E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.729385894617E-01 7.094435113930E-01 0.000000000000E+00 -3.835729494571E-01 7.652531945787E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.167091725726E-01 -1.396324889574E+00 0.000000000000E+00 6.976403416010E-01 -1.346413817174E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.506603650167E-01 6.985246867955E-01 0.000000000000E+00 -3.916401958083E-01 7.589093448230E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.571504911304E-01 -1.357432418086E+00 0.000000000000E+00 7.256687493188E-01 -1.341061424645E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.287252999836E-01 6.875994188396E-01 0.000000000000E+00 -3.993836582520E-01 7.525181220104E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.948943225722E-01 -1.319439968981E+00 0.000000000000E+00 7.516049486638E-01 -1.335455881901E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.071520556377E-01 6.766763577626E-01 0.000000000000E+00 -4.067961686234E-01 7.460749356974E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.300442793110E-01 -1.282346307844E+00 0.000000000000E+00 7.754970891411E-01 -1.329525663968E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.859576449691E-01 6.657637726821E-01 0.000000000000E+00 -4.138716966685E-01 7.395757762428E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.627045042259E-01 -1.246148000382E+00 0.000000000000E+00 7.973989251907E-01 -1.323212952853E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.651574985121E-01 6.548695580441E-01 0.000000000000E+00 -4.206053043279E-01 7.330172121466E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.929790582725E-01 -1.210839646813E+00 0.000000000000E+00 8.173687939900E-01 -1.316472154529E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.447655303861E-01 6.440012406652E-01 0.000000000000E+00 -4.269930982218E-01 7.263963820520E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.209713870783E-01 -1.176414098517E+00 0.000000000000E+00 8.354686993978E-01 -1.309268528319E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.247942041695E-01 6.331659872791E-01 0.000000000000E+00 -4.330321808610E-01 7.197109822527E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.467838587031E-01 -1.142862657955E+00 0.000000000000E+00 8.517634937063E-01 -1.301576925069E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.052545982752E-01 6.223706125080E-01 0.000000000000E+00 -4.387206010479E-01 7.129592504635E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.705173655766E-01 -1.110175262876E+00 0.000000000000E+00 8.663201493028E-01 -1.293380629670E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 8.615647054203E-02 6.116215871841E-01 0.000000000000E+00 -4.440573038761E-01 7.061399465319E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.922709843634E-01 -1.078340655799E+00 0.000000000000E+00 8.792071128157E-01 -1.284670302891E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.750832179433E-02 6.009250469547E-01 0.000000000000E+00 -4.490420806896E-01 6.992523306960E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.121416881391E-01 -1.047346539695E+00 0.000000000000E+00 8.904937347976E-01 -1.275443017186E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.931745816379E-02 5.902868011093E-01 0.000000000000E+00 -4.536755193147E-01 6.922961399244E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.302241058035E-01 -1.017179720783E+00 0.000000000000E+00 9.002497684653E-01 -1.265701380931E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.159005199757E-02 5.797123415734E-01 0.000000000000E+00 -4.579589548354E-01 6.852715628119E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.466103241187E-01 -9.878262392931E-01 0.000000000000E+00 9.085449314601E-01 -1.255452745505E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.433120121070E-02 5.692068520187E-01 0.000000000000E+00 -4.618944211458E-01 6.781792134457E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.613897281534E-01 -9.592714889964E-01 0.000000000000E+00 9.154485250109E-01 -1.244708489651E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.455013032038E-03 5.587752170450E-01 0.000000000000E+00 -4.654846034780E-01 6.710201046053E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.746488762555E-01 -9.315003262857E-01 0.000000000000E+00 9.210291052771E-01 -1.233483375682E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.876547039397E-02 5.484220313932E-01 0.000000000000E+00 -4.687327920697E-01 6.637956206099E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.864714059818E-01 -9.044971695154E-01 0.000000000000E+00 9.253542020120E-01 -1.221794972226E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.459795727048E-02 5.381516091541E-01 0.000000000000E+00 -4.716428371118E-01 6.565074900847E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.969379676770E-01 -8.782460892879E-01 0.000000000000E+00 9.284900800356E-01 -1.209663138413E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.995111456509E-02 5.279679929394E-01 0.000000000000E+00 -4.742191050844E-01 6.491577588777E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.061261826503E-01 -8.527308903306E-01 0.000000000000E+00 9.305015393295E-01 -1.197109564619E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.482438736593E-02 5.178749629895E-01 0.000000000000E+00 -4.764664365723E-01 6.417487633226E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.141106231215E-01 -8.279351855655E-01 0.000000000000E+00 9.314517498723E-01 -1.184157365119E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.921797653465E-02 5.078760461905E-01 0.000000000000E+00 -4.783901056258E-01 6.342831040136E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.209628113300E-01 -8.038424629437E-01 0.000000000000E+00 9.314021176225E-01 -1.170830718232E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -9.313279220670E-02 4.979745249812E-01 0.000000000000E+00 -4.799957807166E-01 6.267636202273E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.267512354007E-01 -7.804361455797E-01 0.000000000000E+00 9.304121783325E-01 -1.157154549821E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.065704091894E-01 4.881734461305E-01 0.000000000000E+00 -4.812894873221E-01 6.191933651044E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.315413797598E-01 -7.576996456905E-01 0.000000000000E+00 9.285395161353E-01 -1.143154256238E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.195330242345E-01 4.784756293697E-01 0.000000000000E+00 -4.822775721555E-01 6.115755816791E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.353957680724E-01 -7.356164128129E-01 0.000000000000E+00 9.258397040911E-01 -1.128855463067E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.320234151537E-01 4.688836758659E-01 0.000000000000E+00 -4.829666690489E-01 6.039136798280E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.383740168561E-01 -7.141699767432E-01 0.000000000000E+00 9.223662641140E-01 -1.114283816264E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.440449017368E-01 4.593999765260E-01 0.000000000000E+00 -4.833636664831E-01 5.962112141878E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.405328980875E-01 -6.933439856182E-01 0.000000000000E+00 9.181706439196E-01 -1.099464802539E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.556013084295E-01 4.500267201218E-01 0.000000000000E+00 -4.834756767511E-01 5.884718630837E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.419264092753E-01 -6.731222395265E-01 0.000000000000E+00 9.133022088371E-01 -1.084423596048E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.666969287193E-01 4.407659012289E-01 0.000000000000E+00 -4.833100067310E-01 5.806994084892E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.426058496270E-01 -6.534887200173E-01 0.000000000000E+00 9.078082465293E-01 -1.069184928696E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.773364911786E-01 4.316193279736E-01 0.000000000000E+00 -4.828741302413E-01 5.728977170342E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.426199010689E-01 -6.344276158479E-01 0.000000000000E+00 9.017339828390E-01 -1.053772981567E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.875251271070E-01 4.225886295842E-01 0.000000000000E+00 -4.821756619414E-01 5.650707220630E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.420147130152E-01 -6.159233452901E-01 0.000000000000E+00 8.951226071554E-01 -1.038211295188E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.972683397175E-01 4.136752637429E-01 0.000000000000E+00 -4.812223327398E-01 5.572224067391E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.326190935175E-01 -1.880830124398E+00 0.000000000000E+00 2.471691470706E-01 -1.428102965257E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.091855466557E-01 8.160930793317E-01 0.000000000000E+00 -2.875578384063E-01 8.274780560144E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.734679851482E-01 -1.436116164869E+00 0.000000000000E+00 6.674783180045E-01 -1.351599889291E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.729385894079E-01 7.094435113679E-01 0.000000000000E+00 -3.835729494634E-01 7.652531945563E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.922709844508E-01 -1.078340655822E+00 0.000000000000E+00 8.792071128537E-01 -1.284670302900E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.750832174065E-02 6.009250469237E-01 0.000000000000E+00 -4.490420806937E-01 6.992523306710E-01 diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/skdef.hsd b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/skdef.hsd index c11f60ad..6abfbf07 100644 --- a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/skdef.hsd +++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/skdef.hsd @@ -163,9 +163,9 @@ TwoCenterParameters { $EqGrid = EquidistantGrid { GridStart = 0.6 - GridSeparation = 0.02 + GridSeparation = 0.2 Tolerance = 5e-5 - MaxDistance = -1.4 + MaxDistance = -1.1 } $SkTwocnt_300_150 = Sktwocnt { diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/_C-C.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/_C-C.skf index 6b60e8cd..39f47553 100644 --- a/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/_C-C.skf +++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/_C-C.skf @@ -1,92 +1,8 @@ -0.020000 69 - 0.000000000000E+00 -1.991451862433E-01 -5.008031450092E-01 -4.388315590227E-02 0.000000000000E+00 3.643020862183E-01 3.643020862183E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 +0.200000 5 + 0.000000000000E+00 -1.991451862435E-01 -5.008031450094E-01 -4.388315590105E-02 0.000000000000E+00 3.643020862136E-01 3.643020862136E-01 0.000000000000E+00 2.000000000000E+00 2.000000000000E+00 1.201000000000E+01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.381760667102E-01 -1.457225383447E+00 0.000000000000E+00 -2.781529807256E-01 -8.318367775611E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.572139974757E-01 8.404174953383E-01 0.000000000000E+00 -1.905803575596E-01 8.094163478854E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.837314388851E-01 -1.429923183678E+00 0.000000000000E+00 -2.486977954925E-01 -8.057290724036E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.329323332977E-01 8.308907927640E-01 0.000000000000E+00 -1.993756789262E-01 8.016932616479E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -5.304822244232E-01 -1.402644467587E+00 0.000000000000E+00 -2.189403014961E-01 -7.824076380814E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.084716804364E-01 8.211978085221E-01 0.000000000000E+00 -2.081949854654E-01 7.940460008169E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.784955599301E-01 -1.375424366584E+00 0.000000000000E+00 -1.890194583538E-01 -7.616582659754E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.838707508287E-01 8.113488238503E-01 0.000000000000E+00 -2.170212085455E-01 7.864756723071E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.278291849715E-01 -1.348295714043E+00 0.000000000000E+00 -1.590631634127E-01 -7.432748695947E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.591674096031E-01 8.013540366786E-01 0.000000000000E+00 -2.258374760168E-01 7.789825131351E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.785319908731E-01 -1.321289112944E+00 0.000000000000E+00 -1.291886172414E-01 -7.270600733583E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.343986302243E-01 7.912235486829E-01 0.000000000000E+00 -2.346271774869E-01 7.715659951136E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.306445689180E-01 -1.294433007484E+00 0.000000000000E+00 -9.950272526593E-02 -7.128256222100E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.096004547687E-01 7.809673533215E-01 0.000000000000E+00 -2.433740223936E-01 7.642249219751E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.841997537569E-01 -1.267753757839E+00 0.000000000000E+00 -7.010252715559E-02 -7.003926401807E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.848079588999E-01 7.705953248032E-01 0.000000000000E+00 -2.520620912822E-01 7.569575191556E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.392231584231E-01 -1.241275717315E+00 0.000000000000E+00 -4.107564657073E-02 -6.895917620483E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.600552211412E-01 7.601172079331E-01 0.000000000000E+00 -2.606758807177E-01 7.497615165227E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.957336978732E-01 -1.215021311211E+00 0.000000000000E+00 -1.250075478206E-02 -6.802631588775E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.353752960671E-01 7.495426087830E-01 0.000000000000E+00 -2.692003422690E-01 7.426342243672E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.537440984636E-01 -1.189011116767E+00 0.000000000000E+00 1.555195751402E-02 -6.722564753587E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.108001910672E-01 7.388809861370E-01 0.000000000000E+00 -2.776209160059E-01 7.355726030042E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.132613912126E-01 -1.163263943646E+00 0.000000000000E+00 4.302030512984E-02 -6.654306944109E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.863608463640E-01 7.281416436623E-01 0.000000000000E+00 -2.859235589456E-01 7.285733263414E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -7.428738709134E-02 -1.137796914454E+00 0.000000000000E+00 6.984963435550E-02 -6.596539424110E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.620871180001E-01 7.173337227586E-01 0.000000000000E+00 -2.940947688739E-01 7.216328397808E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -3.681913294126E-02 -1.112625544847E+00 0.000000000000E+00 9.599235365450E-02 -6.548032465922E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.380077635382E-01 7.064661960417E-01 0.000000000000E+00 -3.021216039532E-01 7.147474128151E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.493469272953E-04 -1.087763822859E+00 0.000000000000E+00 1.214074722414E-01 -6.507642545890E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.141504302464E-01 6.955478614191E-01 0.000000000000E+00 -3.099916985090E-01 7.079131866784E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.363316728233E-02 -1.063224287081E+00 0.000000000000E+00 1.460601492153E-01 -6.474309247389E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.905416455727E-01 6.845873367190E-01 0.000000000000E+00 -3.176932753679E-01 7.011262173972E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 6.664312816847E-02 -1.039018103420E+00 0.000000000000E+00 1.699212554858E-01 -6.447051945662E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.672068097348E-01 6.735930548359E-01 0.000000000000E+00 -3.252151550938E-01 6.943825145756E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.819840617581E-02 -1.015155140164E+00 0.000000000000E+00 1.929669503337E-01 -6.424966338368E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.441701902785E-01 6.625732593598E-01 0.000000000000E+00 -3.325467624471E-01 6.876780762349E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.283196758107E-01 -9.916440411512E-01 0.000000000000E+00 2.151782740909E-01 -6.407220876626E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.214549184798E-01 6.515360006571E-01 0.000000000000E+00 -3.396781303658E-01 6.810089200070E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.570300899489E-01 -9.684922968449E-01 0.000000000000E+00 2.365407580943E-01 -6.393053143369E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 9.908298748523E-02 6.404891323766E-01 0.000000000000E+00 -3.465999017406E-01 6.743711109690E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.843549760981E-01 -9.457063131805E-01 0.000000000000E+00 2.570440527715E-01 -6.381766218752E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.707525210303E-02 6.294403083537E-01 0.000000000000E+00 -3.533033292340E-01 6.677607863830E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.103215541896E-01 -9.232914780520E-01 0.000000000000E+00 2.766815744410E-01 -6.372725066125E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.545143017344E-02 6.183969798905E-01 0.000000000000E+00 -3.597802733660E-01 6.611741775903E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.349586753171E-01 -9.012522253536E-01 0.000000000000E+00 2.954501711562E-01 -6.365352966526E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.423010545896E-02 6.073663933909E-01 0.000000000000E+00 -3.660231990690E-01 6.546076292918E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.582965806941E-01 -8.795920965074E-01 0.000000000000E+00 3.133498076952E-01 -6.359128024740E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.342873200677E-02 5.963555883316E-01 0.000000000000E+00 -3.720251708888E-01 6.480576164255E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2.803666799779E-01 -8.583137994394E-01 0.000000000000E+00 3.303832695908E-01 -6.353579765553E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.936360055855E-03 5.853713955533E-01 0.000000000000E+00 -3.777798469921E-01 6.415207588408E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.012013479961E-01 -8.374192649818E-01 0.000000000000E+00 3.465558859085E-01 -6.348285834957E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.684995732541E-02 5.744204358554E-01 0.000000000000E+00 -3.832814721179E-01 6.349938339491E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.208337388333E-01 -8.169097007063E-01 0.000000000000E+00 3.618752703227E-01 -6.342868817604E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -4.629795455255E-02 5.635091188830E-01 0.000000000000E+00 -3.885248695958E-01 6.284737875179E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.392976161719E-01 -7.967856422082E-01 0.000000000000E+00 3.763510799036E-01 -6.336993178767E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.526734472286E-02 5.526436422931E-01 0.000000000000E+00 -3.935054325365E-01 6.219577427610E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.566271987543E-01 -7.770470018782E-01 0.000000000000E+00 3.899947909200E-01 -6.330362336431E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -8.374620780993E-02 5.418299911891E-01 0.000000000000E+00 -3.982191142866E-01 6.154430078642E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.728570198272E-01 -7.576931152134E-01 0.000000000000E+00 4.028194908779E-01 -6.322715866867E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.017236982220E-01 5.310739378152E-01 0.000000000000E+00 -4.026624182258E-01 6.089270820754E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.880217994516E-01 -7.387227847312E-01 0.000000000000E+00 4.148396859594E-01 -6.313826845098E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.191900309643E-01 5.203810415005E-01 0.000000000000E+00 -4.068323869760E-01 6.024076604755E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.021563286043E-01 -7.201343215593E-01 0.000000000000E+00 4.260711229924E-01 -6.303499320091E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.361364665392E-01 5.097566488469E-01 0.000000000000E+00 -4.107265910792E-01 5.958826375365E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.152953640604E-01 -7.019255847814E-01 0.000000000000E+00 4.365306250702E-01 -6.291565923171E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.525552946120E-01 4.992058941510E-01 0.000000000000E+00 -4.143431171952E-01 5.893501095672E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.274735331198E-01 -6.840940186252E-01 0.000000000000E+00 4.462359399491E-01 -6.277885607157E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.684398164677E-01 4.887337000562E-01 0.000000000000E+00 -4.176805558613E-01 5.828083761339E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.387252473247E-01 -6.666366875815E-01 0.000000000000E+00 4.552056003733E-01 -6.262341512891E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.837843262935E-01 4.783447784258E-01 0.000000000000E+00 -4.207379888527E-01 5.762559405403E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.490846244013E-01 -6.495503095445E-01 0.000000000000E+00 4.634587955139E-01 -6.244838959280E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.985840913198E-01 4.680436314328E-01 0.000000000000E+00 -4.235149761748E-01 5.696915094414E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.585854177437E-01 -6.328312870641E-01 0.000000000000E+00 4.710152527495E-01 -6.225303552540E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.128353308613E-01 4.578345528602E-01 0.000000000000E+00 -4.260115427168E-01 5.631139916629E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.672609528388E-01 -6.164757367998E-01 0.000000000000E+00 4.778951290669E-01 -6.203679410077E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.265351942999E-01 4.477216296049E-01 0.000000000000E+00 -4.282281645922E-01 5.565224962892E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.751440701048E-01 -6.004795172627E-01 0.000000000000E+00 4.841189114093E-01 -6.179927494290E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.396817380574E-01 4.377087433806E-01 0.000000000000E+00 -4.301657551907E-01 5.499163300810E-01 - 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 4.822670736819E-01 -5.848382549295E-01 0.000000000000E+00 4.897073253495E-01 -6.154024051534E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -2.522739016091E-01 4.277995726138E-01 0.000000000000E+00 -4.318256509620E-01 5.432949942779E-01 - - -Spline -12 0.0553585 -112.9353346817185 2.801373701455403 -0.1119994835253462 -0.035 0.0375 0.204206 -35.71077211012958 2016.504000000031 24177.93762071238 -0.0375 0.04 0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729 -0.04 0.0425 0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491 -0.0425 0.045 0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921 -0.045 0.04533 0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024 -0.04533 0.045334 0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721 -0.045334 0.046259 0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061 -0.046259 0.047184 0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317 -0.047184 0.0493131 0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349 -0.0493131 0.0503195 0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911 -0.0503195 0.0513259 0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691 -0.0513259 0.0553585 0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367 - -This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!! - + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -6.381760667055E-01 -1.457225383395E+00 0.000000000000E+00 -2.781529807942E-01 -8.318367778865E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 5.572139974927E-01 8.404174953451E-01 0.000000000000E+00 -1.905803575392E-01 8.094163479158E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -1.537440984801E-01 -1.189011116730E+00 0.000000000000E+00 1.555195749356E-02 -6.722564755729E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3.108001910897E-01 7.388809861471E-01 0.000000000000E+00 -2.776209159721E-01 7.355726030720E-01 + 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1.843549760699E-01 -9.457063131554E-01 0.000000000000E+00 2.570440528035E-01 -6.381766220496E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 7.707525212707E-02 6.294403083665E-01 0.000000000000E+00 -3.533033291784E-01 6.677607865201E-01 diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd index 7505e52e..49fc5911 100644 --- a/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd +++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd @@ -60,9 +60,9 @@ TwoCenterParameters { $EqGrid = EquidistantGrid { GridStart = 0.6 - GridSeparation = 0.02 + GridSeparation = 0.2 Tolerance = 5e-5 - MaxDistance = -1.4 + MaxDistance = -1.1 } $SkTwocnt_300_150 = Sktwocnt {