diff --git a/examples/mio/skdef.hsd b/examples/mio/skdef.hsd
index 2624d05d..ab2d3e66 100644
--- a/examples/mio/skdef.hsd
+++ b/examples/mio/skdef.hsd
@@ -85,6 +85,12 @@ AtomParameters {
     DftbAtom {
       ShellResolved = No
       DensityCompression = PowerCompression { Power = 2; Radius = 2.5 }
+      # Alternatively: Woods-Saxon compression potential
+      # (see J. Chem. Theory Comput. 12, 1, 53-64 (2016) eqn. 4.)
+      # With default W = 100.0:
+      # DensityCompression = WoodsSaxonCompression { a = 2.0; r0 = 6.0 }
+      # or with manual W:
+      # DensityCompression = WoodsSaxonCompression { W = 300.0; a = 2.0; r0 = 6.0 }
       WaveCompressions = SingleAtomCompressions {
 	S = PowerCompression { Power = 2; Radius = 3.0 }
       }
diff --git a/sktools/src/sktools/calculators/slateratom.py b/sktools/src/sktools/calculators/slateratom.py
index f429d284..4fd25de3 100644
--- a/sktools/src/sktools/calculators/slateratom.py
+++ b/sktools/src/sktools/calculators/slateratom.py
@@ -341,8 +341,8 @@ def write(self, workdir):
                 elif compr.compid == \
                      skcomp.SUPPORTED_COMPRESSIONS['woodssaxoncompression']:
                     out += ["{:g} {:g} {:g} \t\t{:s}".format(
-                        compr.onset, compr.cutoff, compr.vmax, self._COMMENT) \
-                            + " Compr. onset, cutoff and vmax ({:s})"
+                        compr.ww, compr.aa, compr.r0, self._COMMENT) \
+                            + " Compr. height, slope, half-height radius ({:s})"
                             .format(sc.ANGMOM_TO_SHELL[ll])]
 
         out += ["{:d} \t\t\t{:s} nr. of occupied shells ({:s})".format(
diff --git a/sktools/src/sktools/common.py b/sktools/src/sktools/common.py
index 8e3aa313..15610dae 100644
--- a/sktools/src/sktools/common.py
+++ b/sktools/src/sktools/common.py
@@ -528,11 +528,12 @@ def is_shelf_file_matching(shelf_file, mydict):
         db = shelve.open(shelf_file, 'r')
     except dbm.error:
         return False
-    if not type(db) is type(mydict):
-        return False
     match = True
     for key in mydict:
-        match = key in db and db[key] == mydict[key]
+        try:
+            match = key in db and db[key] == mydict[key]
+        except KeyError:
+            match = False
         if not match:
             return False
     return True
diff --git a/sktools/src/sktools/compressions.py b/sktools/src/sktools/compressions.py
index ec54c48b..c2c69b4d 100644
--- a/sktools/src/sktools/compressions.py
+++ b/sktools/src/sktools/compressions.py
@@ -69,42 +69,40 @@ class WoodsSaxonCompression(sc.ClassDict):
 
     Attributes
     ----------
-    onset : float
-        Onset radius of the compression
-    cutoff : float
-        Cutoff radius of the compression
-    vmax : float
-        Potential well depth/height
+    ww : float
+        Height (W) of the compression
+    aa : float
+        Slope (a) of the compression
+    r0 : float
+        Half-height radius of the compression
     '''
 
     @classmethod
     def fromhsd(cls, root, query):
         '''Creates instance from a HSD-node and with given query object.'''
 
-        onset, child = query.getvalue(root, 'onset', conv.float0,
-                                      returnchild=True)
-        if onset < 0.0:
-            msg = 'Invalid onset radius {:f}'.format(onset)
+        ww, child = query.getvalue(
+            root, 'w', conv.float0, defvalue=100.0, returnchild=True)
+        if ww < 0.0:
+            msg = 'Invalid potential height (W) {:f}'.format(ww)
             raise hsd.HSDInvalidTagValueException(msg=msg, node=child)
 
-        cutoff, child = query.getvalue(root, 'cutoff', conv.float0,
-                                       returnchild=True)
-        if cutoff <= onset:
-            msg = 'Invalid cutoff radius {:f}'.format(cutoff)
+        aa, child = query.getvalue(root, 'a', conv.float0, returnchild=True)
+        if aa <= 0.0:
+            msg = 'Invalid potential slope (a) {:f}'.format(aa)
             raise hsd.HSDInvalidTagValueException(msg=msg, node=child)
 
-        vmax, child = query.getvalue(
-            root, 'vmax', conv.float0, defvalue=100.0, returnchild=True)
-        if vmax <= 0.0:
-            msg = 'Invalid potential well height {:f}'.format(vmax)
+        r0, child = query.getvalue(root, 'r0', conv.float0, returnchild=True)
+        if r0 < 0.0:
+            msg = 'Invalid potential half-height radius {:f}'.format(r0)
             raise hsd.HSDInvalidTagValueException(msg=msg, node=child)
 
         myself = cls()
         myself.compid = SUPPORTED_COMPRESSIONS[
             myself.__class__.__name__.lower()]
-        myself.onset = onset
-        myself.cutoff = cutoff
-        myself.vmax = vmax
+        myself.ww = ww
+        myself.aa = aa
+        myself.r0 = r0
 
         return myself
 
@@ -117,16 +115,16 @@ def tohsd(self, root, query, parentname=None):
         else:
             mynode = query.setchild(root, 'WoodsSaxonCompression')
 
-        query.setchildvalue(mynode, 'onset', conv.float0, self.onset)
-        query.setchildvalue(mynode, 'cutoff', conv.float0, self.cutoff)
-        query.setchildvalue(mynode, 'vmax', conv.float0, self.vmax)
+        query.setchildvalue(mynode, 'w', conv.float0, self.ww)
+        query.setchildvalue(mynode, 'a', conv.float0, self.aa)
+        query.setchildvalue(mynode, 'r0', conv.float0, self.r0)
 
 
     def __eq__(self, other):
-        onset_ok = abs(self.onset - other.onset) < 1e-8
-        cutoff_ok = abs(self.cutoff - other.cutoff) < 1e-8
-        vmax_ok = abs(self.vmax - other.vmax) < 1e-8
-        return onset_ok and cutoff_ok and vmax_ok
+        ww_ok = abs(self.ww - other.ww) < 1e-8
+        aa_ok = abs(self.aa - other.aa) < 1e-8
+        r0_ok = abs(self.r0 - other.r0) < 1e-8
+        return ww_ok and aa_ok and r0_ok
 
 
 # Registered compressions with corresponding hsd name as key
diff --git a/slateratom/lib/CMakeLists.txt b/slateratom/lib/CMakeLists.txt
index c23d9ad2..1c47c778 100644
--- a/slateratom/lib/CMakeLists.txt
+++ b/slateratom/lib/CMakeLists.txt
@@ -18,7 +18,6 @@ set(sources-f90
   diagonalizations.f90
   globals.f90
   hamiltonian.f90
-  input.f90
   integration.f90
   lapack.f90
   mixer.f90
@@ -33,6 +32,7 @@ set(sources-fpp
   blasroutines.F90
   broydenmixer.F90
   confinement.F90
+  input.F90
   lapackroutines.F90
   simplemixer.F90)
 
diff --git a/slateratom/lib/confinement.F90 b/slateratom/lib/confinement.F90
index 777dcfaf..7fd523ed 100644
--- a/slateratom/lib/confinement.F90
+++ b/slateratom/lib/confinement.F90
@@ -1,6 +1,6 @@
 #:include 'common.fypp'
 
-!> Module that builds up various supervectors.
+!> Module that builds up various confining potential supervectors.
 module confinement
 
   use common_accuracy, only : dp
@@ -20,8 +20,9 @@ module confinement
   type, abstract :: TConf
   contains
 
+    procedure, nopass :: getSupervec => TConf_getSupervec
+
     procedure(getPotOnGrid), deferred :: getPotOnGrid
-    procedure(getSupervec), deferred :: getSupervec
 
   end type TConf
 
@@ -107,14 +108,14 @@ end subroutine getSupervec
   !> Input for the Woods-Saxon confinement.
   type :: TWsConfInp
 
-    !> onset radii (Woods-Saxon compression)
-    real(dp) :: rOnset(0:4)
+    !> potential heights (W)
+    real(dp) :: ww(0:4)
 
-    !> cutoff of confinement (Woods-Saxon compression)
-    real(dp) :: rCut(0:4)
+    !> potential slopes (a)
+    real(dp) :: aa(0:4)
 
-    !> potential well height of confinement (Woods-Saxon compression)
-    real(dp) :: vMax(0:4)
+    !> half-height radii (r0)
+    real(dp) :: r0(0:4)
 
   end type TWsConfInp
 
@@ -123,10 +124,10 @@ end subroutine getSupervec
   type :: TConfInp
 
     !> Power confinement input structure
-    type(TPowerConfInp) :: power
+    type(TPowerConfInp), allocatable :: power
 
     !> Woods-Saxon confinement input structure
-    type(TWsConfInp) :: ws
+    type(TWsConfInp), allocatable :: ws
 
   end type TConfInp
 
@@ -135,16 +136,15 @@ end subroutine getSupervec
   type, extends(TConf) :: TPowerConf
     private
 
-    !> confinement radii (power compression)
+    !> confinement radii
     real(dp) :: r0(0:4)
 
-    !> power of confinement (power compression)
+    !> power of confinement
     real(dp) :: power(0:4)
 
   contains
 
     procedure :: getPotOnGrid => TPowerConf_getPotOnGrid
-    procedure :: getSupervec => TPowerConf_getSupervec
 
   end type TPowerConf
 
@@ -153,19 +153,18 @@ end subroutine getSupervec
   type, extends(TConf) :: TWsConf
     private
 
-    !> onset radii (Woods-Saxon compression)
-    real(dp) :: rOnset(0:4)
+    !> potential heights (W)
+    real(dp) :: ww(0:4)
 
-    !> cutoff of confinement (Woods-Saxon compression)
-    real(dp) :: rCut(0:4)
+    !> potential slopes (a)
+    real(dp) :: aa(0:4)
 
-    !> potential well height of confinement (Woods-Saxon compression)
-    real(dp) :: vMax(0:4)
+    !> half-height radii (r0)
+    real(dp) :: r0(0:4)
 
   contains
 
     procedure :: getPotOnGrid => TWsConf_getPotOnGrid
-    procedure :: getSupervec => TWsConf_getSupervec
 
   end type TWsConf
 
@@ -214,9 +213,9 @@ subroutine TWsConf_init(this, input)
     !> input data
     type(TWsConfInp), intent(inout) :: input
 
-    this%rOnset(0:) = input%rOnset
-    this%rCut(0:) = input%rCut
-    this%vMax(0:) = input%vMax
+    this%ww(0:) = input%ww
+    this%aa(0:) = input%aa
+    this%r0(0:) = input%r0
 
   end subroutine TWsConf_init
 
@@ -239,16 +238,14 @@ subroutine TPowerConf_getPotOnGrid(this, max_l, num_mesh_points, abcissa, vconf)
     !> Woods-Saxon potential on grid
     real(dp), intent(out) :: vconf(:, 0:)
 
-    !! auxiliary variables
-    integer :: ii, ll
+    !! angular momentum
+    integer :: ll
 
     @:ASSERT(size(vconf, dim=1) == num_mesh_points)
     @:ASSERT(size(vconf, dim=2) == max_l + 1)
 
     do ll = 0, max_l
-      do ii = 1, num_mesh_points
-        vconf(ii, ll) = getPowerPotential(abcissa(ii), this%r0(ll), this%power(ll))
-      end do
+      vconf(:, ll) = getPowerPotential(abcissa, this%r0(ll), this%power(ll))
     end do
 
   end subroutine TPowerConf_getPotOnGrid
@@ -272,27 +269,23 @@ subroutine TWsConf_getPotOnGrid(this, max_l, num_mesh_points, abcissa, vconf)
     !> Woods-Saxon potential on grid
     real(dp), intent(out) :: vconf(:, 0:)
 
-    !! auxiliary variables
-    integer :: ii, ll
+    !! angular momentum
+    integer :: ll
 
     @:ASSERT(size(vconf, dim=1) == num_mesh_points)
     @:ASSERT(size(vconf, dim=2) == max_l + 1)
 
     do ll = 0, max_l
-      do ii = 1, num_mesh_points
-        vconf(ii, ll) = getWSPotential(abcissa(ii), this%rOnset(ll), this%rCut(ll), this%vMax(ll))
-      end do
+      vconf(:, ll) = getWSPotential(abcissa, this%ww(ll), this%aa(ll), this%r0(ll))
     end do
 
   end subroutine TWsConf_getPotOnGrid
 
 
-  !> Tabulates the (shell-resolved) Power confinement potential on the grid.
-  subroutine TPowerConf_getSupervec(this, max_l, num_mesh_points, abcissa, weight, num_alpha,&
-      & alpha, poly_order, vconf, vconf_matrix)
-
-    !> instance
-    class(TPowerConf), intent(in) :: this
+  !> Constructs the DFT confinement supervector to be added to the Fock matrix, by calculating the
+  !! single matrix elements and putting them together.
+  subroutine TConf_getSupervec(max_l, num_mesh_points, abcissa, weight, num_alpha, alpha,&
+      & poly_order, vconf, vconf_matrix)
 
     !> maximum angular momentum
     integer, intent(in) :: max_l
@@ -315,108 +308,25 @@ subroutine TPowerConf_getSupervec(this, max_l, num_mesh_points, abcissa, weight,
     !> highest polynomial order + l in each shell
     integer, intent(in) :: poly_order(0:)
 
-    !> Power potential on grid
+    !> confinement potential on grid
     real(dp), intent(in) :: vconf(:, 0:)
 
-    !> Power confinement supervector
+    !> confinement supervector
     real(dp), intent(out) :: vconf_matrix(0:,:,:)
 
-    @:ASSERT(size(vconf, dim=1) == num_mesh_points)
-    @:ASSERT(size(vconf, dim=2) == max_l + 1)
-
-    @:ASSERT(size(vconf_matrix, dim=1) == max_l + 1)
-
-    call build_dft_conf_matrix(max_l, num_alpha, poly_order, alpha, num_mesh_points, abcissa,&
-        & weight, vconf, vconf_matrix)
-
-  end subroutine TPowerConf_getSupervec
-
-
-  !> Tabulates the (shell-resolved) Woods-Saxon confinement potential on the grid.
-  subroutine TWsConf_getSupervec(this, max_l, num_mesh_points, abcissa, weight, num_alpha, alpha,&
-      & poly_order, vconf, vconf_matrix)
-
-    !> instance
-    class(TWsConf), intent(in) :: this
-
-    !> maximum angular momentum
-    integer, intent(in) :: max_l
-
-    !> number of numerical integration points
-    integer, intent(in) :: num_mesh_points
-
-    !> numerical integration abcissas
-    real(dp), intent(in) :: abcissa(:)
-
-    !> numerical integration weights
-    real(dp), intent(in) :: weight(:)
-
-    !> number of exponents in each shell
-    integer, intent(in) :: num_alpha(0:)
-
-    !> basis exponents
-    real(dp), intent(in) :: alpha(0:,:)
-
-    !> highest polynomial order + l in each shell
-    integer, intent(in) :: poly_order(0:)
-
-    !> Woods-Saxon potential on grid
-    real(dp), intent(in) :: vconf(:, 0:)
+    !> single matrix element of the confinement potential
+    real(dp) :: vconf_matrixelement
 
-    !> Woods-Saxon confinement supervector
-    real(dp), intent(out) :: vconf_matrix(0:,:,:)
+    !> auxiliary variables
+    integer :: ii, jj, kk, ll, mm, ss, tt, start
 
     @:ASSERT(size(vconf, dim=1) == num_mesh_points)
     @:ASSERT(size(vconf, dim=2) == max_l + 1)
 
     @:ASSERT(size(vconf_matrix, dim=1) == max_l + 1)
 
-    call build_dft_conf_matrix(max_l, num_alpha, poly_order, alpha, num_mesh_points, abcissa,&
-        & weight, vconf, vconf_matrix)
-
-  end subroutine TWsConf_getSupervec
-
-
-  !> Builds DFT confinement matrix to be added to the Fock matrix by calculating the single matrix
-  !! elements and putting them together.
-  subroutine build_dft_conf_matrix(max_l, num_alpha, poly_order, alpha, num_mesh_points, abcissa,&
-      & weight, vconf, conf_matrix)
-
-    !> maximum angular momentum
-    integer, intent(in) :: max_l
-
-    !> number of exponents in each shell
-    integer, intent(in) :: num_alpha(0:)
-
-    !> highest polynomial order + l in each shell
-    integer, intent(in) :: poly_order(0:)
-
-    !> basis exponents
-    real(dp), intent(in) :: alpha(0:,:)
-
-    !> number of numerical integration points
-    integer, intent(in) :: num_mesh_points
-
-    !> numerical integration abcissas
-    real(dp), intent(in) :: abcissa(:)
-
-    !> numerical integration weights
-    real(dp), intent(in) :: weight(:)
-
-    !> confinement potential on grid
-    real(dp), intent(in) :: vconf(:, 0:)
-
-    !> DFT confinement matrix
-    real(dp), intent(out) :: conf_matrix(0:,:,:)
-
-    !> single matrix element of the confinement potential
-    real(dp) :: conf_matrixelement
-
-    !> auxiliary variables
-    integer :: ii, jj, kk, ll, mm, ss, tt, start
-
-    conf_matrix(:,:,:) = 0.0_dp
-    conf_matrixelement = 0.0_dp
+    vconf_matrix(:,:,:) = 0.0_dp
+    vconf_matrixelement = 0.0_dp
 
     do ii = 0, max_l
       ss = 0
@@ -434,10 +344,10 @@ subroutine build_dft_conf_matrix(max_l, num_alpha, poly_order, alpha, num_mesh_p
               tt = tt + 1
 
               call dft_conf_matrixelement(num_mesh_points, weight, abcissa, vconf(:, ii),&
-                  & alpha(ii, jj), kk, alpha(ii, ll), mm, ii, conf_matrixelement)
+                  & alpha(ii, jj), kk, alpha(ii, ll), mm, ii, vconf_matrixelement)
 
-              conf_matrix(ii, ss, tt) = conf_matrixelement
-              conf_matrix(ii, tt, ss) = conf_matrixelement
+              vconf_matrix(ii, ss, tt) = vconf_matrixelement
+              vconf_matrix(ii, tt, ss) = vconf_matrixelement
 
             end do
           end do
@@ -445,10 +355,10 @@ subroutine build_dft_conf_matrix(max_l, num_alpha, poly_order, alpha, num_mesh_p
       end do
     end do
 
-  end subroutine build_dft_conf_matrix
+  end subroutine TConf_getSupervec
 
 
-  !> Calculates a single matrix element of the exchange correlation potential.
+  !> Calculates a single matrix element of the confinement potential.
   pure subroutine dft_conf_matrixelement(num_mesh_points, weight, abcissa, vconf, alpha1, poly1,&
       & alpha2, poly2, ll, conf_matrixelement)
 
@@ -479,7 +389,7 @@ pure subroutine dft_conf_matrixelement(num_mesh_points, weight, abcissa, vconf,
     !> angular momentum
     integer, intent(in) :: ll
 
-    !> single matrix element of the exchange correlation potential
+    !> single matrix element of the confinement potential
     real(dp), intent(out) :: conf_matrixelement
 
     !> stores product of two basis functions and r^2
@@ -499,7 +409,7 @@ end subroutine dft_conf_matrixelement
 
 
   !> Returns the Power potential for a given radial distance.
-  pure function getPowerPotential(rr, r0, power) result(pot)
+  elemental impure function getPowerPotential(rr, r0, power) result(pot)
 
     !> radial distance
     real(dp), intent(in) :: rr
@@ -513,94 +423,36 @@ pure function getPowerPotential(rr, r0, power) result(pot)
     !> Power potential at evaluation point
     real(dp) :: pot
 
+    @:ASSERT(rr >= 0.0_dp)
+
     pot = (rr / r0)**power
 
   end function getPowerPotential
 
 
   !> Returns the Woods-Saxon potential for a given radial distance.
-  pure function getWSPotential(rr, rOnset, rCut, vMax) result(pot)
+  !! see J. Chem. Theory Comput. 12, 1, 53-64 (2016) eqn. 4.
+  elemental impure function getWSPotential(rr, ww, aa, r0) result(pot)
 
     !> radial distance
     real(dp), intent(in) :: rr
 
-    !> onset radius
-    real(dp), intent(in) :: rOnset
+    !> potential height (W)
+    real(dp), intent(in) :: ww
 
-    !> cutoff radius
-    real(dp), intent(in) :: rCut
+    !> potential slope (a)
+    real(dp), intent(in) :: aa
 
-    !> potential well height
-    real(dp), intent(in) :: vMax
+    !> half-height radius (r0)
+    real(dp), intent(in) :: r0
 
     !> Woods-Saxon potential at evaluation point
     real(dp) :: pot
 
-    ! case: rr <= rOnset
-    pot = 0.0_dp
+    @:ASSERT(rr >= 0.0_dp)
 
-    if (rr > rOnset .and. rr < rCut) then
-      pot = vMax / (rCut - rOnset) * (rr - rOnset)
-    elseif (rr >= rCut) then
-      pot = vMax
-    end if
+    pot = ww / (1.0 + exp(-aa * (rr - r0)))
 
   end function getWSPotential
 
-
-  ! !> Calculates analytic matrix elements of confining potential.
-  ! !! No checking for power, e.g. power==0 or power<0 etc. !
-  ! subroutine getConfPower_analytical(this, max_l, num_alpha, alpha, poly_order, vconf_matrix)
-
-  !   !> instance
-  !   class(TPowerConf), intent(in) :: this
-
-  !   !> maximum angular momentum
-  !   integer, intent(in) :: max_l
-
-  !   !> number of exponents in each shell
-  !   integer, intent(in) :: num_alpha(0:)
-
-  !   !> basis exponents
-  !   real(dp), intent(in) :: alpha(0:,:)
-
-  !   !> highest polynomial order + l in each shell
-  !   integer, intent(in) :: poly_order(0:)
-
-  !   !> confinement supervector
-  !   real(dp), intent(out) :: vconf_matrix(0:,:,:)
-
-  !   !! temporary storage
-  !   real(dp) :: alpha1
-
-  !   !! auxiliary variables
-  !   integer :: ii, jj, kk, ll, mm, nn, oo, nlp, nlq
-
-  !   vconf_matrix(:,:,:) = 0.0_dp
-
-  !   do ii = 0, max_l
-  !     if (this%power(ii) > 1.0e-06_dp) then
-  !       nn = 0
-  !       do jj = 1, num_alpha(ii)
-  !         do ll = 1, poly_order(ii)
-  !           nn = nn + 1
-  !           oo = 0
-  !           nlp = ll + ii
-  !           do kk = 1, num_alpha(ii)
-  !             alpha1 = 0.5_dp * (alpha(ii, jj) + alpha(ii, kk))
-  !             do mm = 1, poly_order(ii)
-  !               oo = oo + 1
-  !               nlq = mm + ii
-  !               vconf_matrix(ii, nn, oo) = 1.0_dp / sqrt(v(alpha(ii, jj), 2 * nlp)&
-  !                   & * v(alpha(ii, kk), 2 * nlq)) / (this%r0(ii) * 2.0_dp)**this%power(ii)&
-  !                   & * v(alpha1, nlp + nlq + this%power(ii))
-  !             end do
-  !           end do
-  !         end do
-  !       end do
-  !     end if
-  !   end do
-
-  ! end subroutine TConf_getConfPower_analytical
-
 end module confinement
diff --git a/slateratom/lib/input.f90 b/slateratom/lib/input.F90
similarity index 97%
rename from slateratom/lib/input.f90
rename to slateratom/lib/input.F90
index 16e9b994..c3f01454 100644
--- a/slateratom/lib/input.f90
+++ b/slateratom/lib/input.F90
@@ -1,3 +1,5 @@
+#:include 'common.fypp'
+
 !> Module that reads input values from stdin.
 module input
 
@@ -174,16 +176,21 @@ subroutine read_input_1(nuc, max_l, occ_shells, maxiter, scftol, poly_order, min
     case(confType%none)
       continue
     case(confType%power)
+      allocate(confInp%power)
       write(*, '(A)') 'Enter parameters r_0 and power'
       do ii = 0, max_l
         write(*, '(A,I3)') 'l=', ii
         read(*,*) confInp%power%r0(ii), confInp%power%power(ii)
       end do
     case(confType%ws)
-      write(*, '(A)') 'Enter parameters Ronset, Rcut and Vmax'
+      allocate(confInp%ws)
+      write(*, '(A)') 'Enter parameters compr. height, slope and half-height radius'
       do ii = 0, max_l
         write(*, '(A,I3)') 'l=', ii
-        read(*,*) confInp%ws%rOnset(ii), confInp%ws%rCut(ii), confInp%ws%vMax(ii)
+        read(*,*) confInp%ws%ww(ii), confInp%ws%aa(ii), confInp%ws%r0(ii)
+        @:ASSERT(confInp%ws%ww(ii) >= 0.0)
+        @:ASSERT(confInp%ws%aa(ii) > 0.0)
+        @:ASSERT(confInp%ws%r0(ii) >= 0.0)
       end do
     case default
       error stop 'Invalid confinement potential.'
@@ -429,8 +436,8 @@ subroutine echo_input(nuc, max_l, occ_shells, maxiter, scftol, poly_order, num_a
         write(*, '(A,I3,A,E15.7,A,E15.7)') 'l= ', ii, ', r0= ', confInp%power%r0(ii),&
             & ' power= ', confInp%power%power(ii)
       case(confType%ws)
-        write(*, '(A,I3,A,E15.7,A,E15.7,A,E15.7)') 'l= ', ii, ', Ronset= ', confInp%ws%rOnset(ii),&
-            & ' Rcutoff= ', confInp%ws%rCut(ii), ' Vmax= ', confInp%ws%vMax(ii)
+        write(*, '(A,I3,A,E15.7,A,E15.7,A,E15.7)') 'l= ', ii, ', W= ', confInp%ws%ww(ii),&
+            & ' a= ', confInp%ws%aa(ii), ' r0= ', confInp%ws%r0(ii)
       end select
     end do
 
diff --git a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/config b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/config
index bfa360b6..03fd460a 100644
--- a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/config
+++ b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/config
@@ -1 +1 @@
-C,N C,N
\ No newline at end of file
+C,N C,N
diff --git a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/config b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/config
index 57bc8b62..897a44bc 100644
--- a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/config
+++ b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/config
@@ -1 +1 @@
-O,N O,N
\ No newline at end of file
+O,N O,N
diff --git a/test/prog/sktable/GGA-PBE96/Non-Relativistic/config b/test/prog/sktable/GGA-PBE96/Non-Relativistic/config
index e5eac9cd..fe945713 100644
--- a/test/prog/sktable/GGA-PBE96/Non-Relativistic/config
+++ b/test/prog/sktable/GGA-PBE96/Non-Relativistic/config
@@ -1 +1 @@
-N,O N,O
\ No newline at end of file
+N,O N,O
diff --git a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/config b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/config
index bfa360b6..03fd460a 100644
--- a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/config
+++ b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/config
@@ -1 +1 @@
-C,N C,N
\ No newline at end of file
+C,N C,N
diff --git a/test/prog/sktable/HYB-PBE0/Non-Relativistic/config b/test/prog/sktable/HYB-PBE0/Non-Relativistic/config
index bfa360b6..03fd460a 100644
--- a/test/prog/sktable/HYB-PBE0/Non-Relativistic/config
+++ b/test/prog/sktable/HYB-PBE0/Non-Relativistic/config
@@ -1 +1 @@
-C,N C,N
\ No newline at end of file
+C,N C,N
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/_C-C.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-C.skf
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/_C-C.skf
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-C.skf
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/_C-O.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-O.skf
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/_C-O.skf
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-O.skf
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/_O-C.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-C.skf
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/_O-C.skf
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-C.skf
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/_O-O.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-O.skf
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/_O-O.skf
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-O.skf
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/config b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/config
new file mode 100644
index 00000000..d380badc
--- /dev/null
+++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/config
@@ -0,0 +1 @@
+C,O C,O
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/skdef.hsd b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/skdef.hsd
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/skdef.hsd
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/skdef.hsd
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
new file mode 100644
index 00000000..6b60e8cd
--- /dev/null
+++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/_C-C.skf
@@ -0,0 +1,92 @@
+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
+   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
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+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00
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+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00
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+   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
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+   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!!!!!!!!!!!!!!!
+
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/config b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/config
new file mode 100644
index 00000000..3aab270d
--- /dev/null
+++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/config
@@ -0,0 +1 @@
+C C
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd
new file mode 100644
index 00000000..7505e52e
--- /dev/null
+++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd
@@ -0,0 +1,74 @@
+SkdefVersion = 1
+
+Globals {
+  Superposition = density
+  XCFunctional = lda {}
+}
+
+AtomParameters {
+
+  C {
+    AtomConfig {
+      AtomicNumber = 6
+      Mass = 12.01
+      Occupations {
+	1S = 1.0 1.0
+	2S = 1.0 1.0
+	2P = 2.0 0.0
+      }
+      ValenceShells = 2s 2p
+      Relativistics = None
+    }
+    DftbAtom {
+      ShellResolved = No
+      DensityCompression = WoodsSaxonCompression { W = 10.0; a = 2.0; r0 = 7.0 }
+      WaveCompressions = SingleAtomCompressions {
+	S = WoodsSaxonCompression { W = 10.0; a = 2.0; r0 = 2.7 }
+	P = WoodsSaxonCompression { W = 10.0; a = 2.0; r0 = 2.7 }
+      }
+    }
+  }
+
+}
+
+
+OnecenterParameters {
+
+  $StandardDeltaFilling {
+    DeltaFilling = 0.01
+  }
+
+  C {
+    $StandardDeltaFilling
+    Calculator = SlaterAtom {
+    MaxScfIterations = 120
+    ScfTolerance = 1.0e-10
+      Exponents {
+	S = 0.5 1.14 2.62 6.0
+	P = 0.5 1.14 2.62 6.0
+      }
+      MaxPowers {
+	S = 3
+	P = 3
+      }
+    }
+  }
+
+}
+
+TwoCenterParameters {
+
+  $EqGrid = EquidistantGrid {
+      GridStart = 0.6
+      GridSeparation = 0.02
+      Tolerance = 5e-5
+      MaxDistance = -1.4
+  }
+
+  $SkTwocnt_300_150 = Sktwocnt {
+    IntegrationPoints = 300 150
+  }
+
+  C-C { Grid = $EqGrid; Calculator = $SkTwocnt_300_150 }
+
+}
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/config b/test/prog/sktable/LDA-PW91/Non-Relativistic/config
deleted file mode 100644
index 2b6041a2..00000000
--- a/test/prog/sktable/LDA-PW91/Non-Relativistic/config
+++ /dev/null
@@ -1 +0,0 @@
-C,O C,O
\ No newline at end of file
diff --git a/test/prog/sktable/tests b/test/prog/sktable/tests
index 4ef363ba..af0e0790 100644
--- a/test/prog/sktable/tests
+++ b/test/prog/sktable/tests
@@ -3,7 +3,8 @@
 
 #:include 'common.fypp'
 
-LDA-PW91/Non-Relativistic
+LDA-PW91/Non-Relativistic/Power
+LDA-PW91/Non-Relativistic/WS
 GGA-PBE96/Non-Relativistic
 HYB-PBE0/Non-Relativistic
 HYB-B3LYP/Non-Relativistic