From 70e495701981237d9687253ad66486f412228c66 Mon Sep 17 00:00:00 2001
From: atztogo <atztogo@users.noreply.github.com>
Date: Thu, 8 Aug 2024 02:23:37 +0000
Subject: [PATCH] deploy: 62568d3bbb72808c7ef24b96767cb33454d43cf7

---
 .buildinfo                              |   2 +-
 .doctrees/README.doctree                | Bin 6745 -> 6795 bytes
 .doctrees/auxiliary-tools.doctree       | Bin 59816 -> 59876 bytes
 .doctrees/changelog.doctree             | Bin 138459 -> 138871 bytes
 .doctrees/citation.doctree              | Bin 15416 -> 15466 bytes
 .doctrees/command-options.doctree       | Bin 295828 -> 261275 bytes
 .doctrees/crystal.doctree               | Bin 18993 -> 19068 bytes
 .doctrees/cutoff-pair.doctree           | Bin 62571 -> 62597 bytes
 .doctrees/direct-solution.doctree       | Bin 68709 -> 68759 bytes
 .doctrees/environment.pickle            | Bin 208812 -> 209977 bytes
 .doctrees/examples.doctree              | Bin 5639 -> 5689 bytes
 .doctrees/external-tools.doctree        | Bin 7430 -> 7480 bytes
 .doctrees/hdf5_howto.doctree            | Bin 50447 -> 50497 bytes
 .doctrees/index.doctree                 | Bin 17123 -> 16430 bytes
 .doctrees/input-output-files.doctree    | Bin 38120 -> 38170 bytes
 .doctrees/install.doctree               | Bin 35314 -> 35364 bytes
 .doctrees/interfaces.doctree            | Bin 21944 -> 21994 bytes
 .doctrees/phono3py-api.doctree          | Bin 76285 -> 76335 bytes
 .doctrees/phono3py-load.doctree         | Bin 12414 -> 13483 bytes
 .doctrees/qe.doctree                    | Bin 15200 -> 15275 bytes
 .doctrees/random-displacements.doctree  | Bin 25116 -> 25173 bytes
 .doctrees/reference.doctree             | Bin 13903 -> 13953 bytes
 .doctrees/tips.doctree                  | Bin 28212 -> 28262 bytes
 .doctrees/turbomole.doctree             | Bin 17302 -> 17362 bytes
 .doctrees/vasp.doctree                  | Bin 20134 -> 20209 bytes
 .doctrees/wigner-solution.doctree       | Bin 34646 -> 34706 bytes
 .doctrees/workflow.doctree              | Bin 8660 -> 8710 bytes
 .doctrees/workload-distribution.doctree | Bin 22601 -> 22091 bytes
 README.html                             |   6 +-
 _sources/auxiliary-tools.md             |   2 +-
 _sources/changelog.md                   |   7 +-
 _sources/command-options.md             | 177 ++++++---
 _sources/crystal.md                     |   4 +-
 _sources/cutoff-pair.md                 |  13 +-
 _sources/index.md                       |  22 +-
 _sources/phono3py-load.md               |  33 +-
 _sources/qe.md                          |   4 +-
 _sources/random-displacements.md        |  19 +-
 _sources/turbomole.md                   |   2 +-
 _sources/vasp.md                        |   4 +-
 _sources/wigner-solution.md             |   2 +-
 _sources/workload-distribution.md       |  12 +-
 _static/documentation_options.js        |   2 +-
 auxiliary-tools.html                    |   8 +-
 changelog.html                          |  23 +-
 citation.html                           |   6 +-
 command-options.html                    | 485 +++++++++---------------
 crystal.html                            |  10 +-
 cutoff-pair.html                        |  17 +-
 direct-solution.html                    |   6 +-
 examples.html                           |   6 +-
 external-tools.html                     |   6 +-
 genindex.html                           |   6 +-
 hdf5_howto.html                         |   6 +-
 index.html                              |  22 +-
 input-output-files.html                 |   6 +-
 install.html                            |   6 +-
 interfaces.html                         |   6 +-
 objects.inv                             | Bin 3505 -> 3535 bytes
 phono3py-api.html                       |   6 +-
 phono3py-load.html                      |  42 +-
 qe.html                                 |  10 +-
 random-displacements.html               |  30 +-
 reference.html                          |   6 +-
 search.html                             |   6 +-
 searchindex.js                          |   2 +-
 tips.html                               |   6 +-
 turbomole.html                          |   8 +-
 vasp.html                               |  10 +-
 wigner-solution.html                    |   8 +-
 workflow.html                           |   6 +-
 workload-distribution.html              |  18 +-
 72 files changed, 525 insertions(+), 563 deletions(-)

diff --git a/.buildinfo b/.buildinfo
index 859a8e22..4f72fb8b 100644
--- a/.buildinfo
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@@ -1,4 +1,4 @@
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+config: 931a2732e6ef1368147e4a063395ccd0
 tags: 645f666f9bcd5a90fca523b33c5a78b7
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diff --git a/.doctrees/cutoff-pair.doctree b/.doctrees/cutoff-pair.doctree
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diff --git a/.doctrees/direct-solution.doctree b/.doctrees/direct-solution.doctree
index aebe8870c5247ed1d25dc3788c0badf53fa27243..339f85ff848e0638e9356ef6e2418c9fe29dda02 100644
GIT binary patch
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diff --git a/.doctrees/environment.pickle b/.doctrees/environment.pickle
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GIT binary patch
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zCe{)O<}+uIdBVA3W^&OvY0d`6<03OzW;?TmOU#@;i*-&qOF9OubN&sj$nO{|%;ssU
zf-2dQ7VdZJ1v9q@vr=-f{PtVvIK0UU47l2*BY+&v(c&EU1c)&N_Iq$L+2mOqDM0*-
zq8^mGtcBpWE9wX9xgt%e;j<^|!{p2w|J_l4*pt*GSr=Jy6m%9Keql5+?kph90Oz*R
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z2X#-=X0(a(_+sD&eGRhdcgu_(?14p866erQqKSP76mVAzDN<l)7WAu&ekb*?sA$}j
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zJriqq6GI2A539$&>~~<m!>Xyw*JmL&j}w7y0C65VOXnc5h_AX&GFjr2Gd+)VPoJI_
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zMtd%2TvXwL->LpIacPI=p-M8p^Mm%l?{g#zIIvk=%-nl7q$Y#I3Rya^5MlR%-%bXu
Nc?_vCoY3&r`+tv%sRsZ6

diff --git a/.doctrees/examples.doctree b/.doctrees/examples.doctree
index b77875da8d6cca3327eaaf53b7e525088e976e50..5632c31de5c2e45bf59140cb85ce3bc227171555 100644
GIT binary patch
delta 220
zcmZqI*{Q?Yz&ce=Y$NM*0izy?+{)sT__X}|lDzzq)cBI3#Ju9nlFa<PDIGmRsB*>m
zMI}=@CeIP*W^|mqP*7sBgP<Iv{p5Hc=`guYP>C@RC~5%|xg}`IXg66vNP;n7vZhd)
zXf`7QLuYA*Q0)|r4A~5|j8hqESvixJ2!%10PW~+vBUA*GFHK6!5CAC<ik$+K%oJ7<
z0%=Rkkcgd<Ar(8NG(#?{VDntz6^x9VfYyjl4&dNnwa!q=T0c2Y)Sq$f<b9%^0NSrf
A$p8QV

delta 200
zcmdm~)2_qXz&iDh=tkD*0+Y`PbhFwsGB6ZRKFBCMxlmA^(RT7gK{-ad$r}WfSpDHL
zuLKo=GCV@2QZ_)b9>MbbqLk$P(!3Jg+|0bvlGNfUS$>nFh0;Vbfzq9&8A7#FG%{o}
z)G|(GsAXkMz9tmLSUg!*I7X-dC|{bCm>~dCAQU?VC^=hLNeHAZF+(DDN`_SIl+p~j
kth~+Vg;y}LZUBmd+$PUzouQPqcJcyIf5z35KZtq)07h;<NdN!<

diff --git a/.doctrees/external-tools.doctree b/.doctrees/external-tools.doctree
index ba95ec0c8215c2a128a87fcb9f0db7da97426054..2fbd9fa89dab236df07f3a92fc7b96bcff2e32fb 100644
GIT binary patch
delta 140
zcmZp(+F`}oz&ce|b|Y)Egi((~Ze?*vd|G~fNnU<QYJ5piVqS4(NoIcDl#U)DRJr2(
zqLL{clRG4O8JAA(mz0>SCn?9cc(N~$TrxRFQi*XZP}Bk_azfISana;|k`jztHj7K?
dGBJJuN{CNZ;O1ji%KA7tSH_?5{p7teo&b=hGp_&u

delta 89
zcmdmC)n>)oz&iD}%tqE`iOIVpdKni_J}4<MIYCm6apB~8Ah~GrJV_<S%|KBLpvW&t
rQ^p084WuL(H*NNm(q&@&1e6e;tia93td#YB@_ZS8#<!E-%Xk6+t#cp{

diff --git a/.doctrees/hdf5_howto.doctree b/.doctrees/hdf5_howto.doctree
index ef81256b41df2e391521f293f0975e2e6f439a32..fb8db8258c168360c582015c3143b1d5ae48ce82 100644
GIT binary patch
delta 318
zcmeD0Vm{c#%+kO*)ode+>Mo-miQLNKlK8az{F1!<lGON;qQt!7%#zIfyeS<$La1`Z
z`9&pDIwouG>Se5)eDHwy<a4{^8OtZX+a<?XF`0L_5@RP=)P1)iP&9M5DP!5>`MV_;
zJ2vmw&B4le1}Le{bdq=S#fkEh-yRg0EO}6#<2Ww^LupdhiOCKJQy8CvRXl;I5M+Ef
z`Ts#_WHl<2-43}iGENRSqR#XWRh<}bb!moN7LtJ~ll2bUGD?FLOYlLhg%~QvyAwk(
Z?-3_PQ?OzqG{ut-9ARZVKKa-YPXN~rhvxtQ

delta 304
zcmX@u#oXV;%+kO*m1QG~>aNMryLy?*c_%kUicQ)r&saKHVYeJ(*<}0ON=)rw(aDv&
z6@kLDcbhVnOuo2Vg0XG$tKA%|Os7Dya+7#Dn2z&KzBo~Sviu=|$=(O$xsUQPFq9@`
z9RpI6H?qr5o^sHM=_y?CBbZ`A#`}{E4@qMvFFWMH^dGML52|vp$@+&`F|@=Twr7&$
qgE>cx59%C<4PpX2OEcuM&|PJF#D&QiuEzjP58DB-p2<Iscme=%)ok$q

diff --git a/.doctrees/index.doctree b/.doctrees/index.doctree
index b76bb1380a5f60a33cf761f4554669327124a1f5..a721e86fcf42ffb6037b8d3cea25d3db6b034a7b 100644
GIT binary patch
delta 1238
zcmY+DZAep57{_<+oyLYQC1YydZBE<pWt(@KQ-_w*w8B}LW{MIzadKU{mD@6tQVD6J
zeTbeFNEAdt)CVC3;kRC(pa|?!AM-;{pLzu&2%_`c?Mw#aw{xEV^ZftkUe5irO4gT2
z-g4f}YR{9r%?k1eW(4OR^=Myzr_F7*iS9<H*mSxE^g4^Swz9@IcVYUxderU`sU|kL
z?NsszMi>`j<%KyjNom*Vq@+#IDzxjqXw*A1Oj5(7zME800|RezcEcO}i@f1{qEJA>
zVBRy@(>Ks#b31IJ-64t?^taMMYEz#L8bXS|VAPVL)QIr}Pv${qswh#@frCeFP8a<-
z(*yg>tz4}d@=c4TqFj+3A-8<PyauOCr3I2j(t8!r2|PaBHot?9)(Uu8+rV}4U@sD&
zvUqo4F>R@mbhNc1(2=s#S-9~@UZDs~Atb~Z#4I9&IEM%$qKJ9K0%8$y39*D&L0mzs
zBCaChh-<K636uxu(ifHL14DEn=j*-u=owBztF@`LAB*%r_$Np_(;;R(L|^o#b%=YM
z`v`5BM|cQ6+beE^i5k^`9iibX_m&9-u%yd}%i>|RC)4nnho8-65Q~*6RzfokXzh2n
zEjFi7b!H8}*}bHV9;OZ^9o5_)){=gwU75CR+2ezwgUeTDUb;qoh>1K5I6b6`n$*KH
zr-d`Hp0vr4OrHQkb0ds2u5eD)pi%W?L=k>8*JpQDx~qm+S4p-aK+NR@x1%2Zxm?^Z
zGe{@&W=sYl*c9fbn5a=5%L+pC8h3F==*tN6axB|Lvazf(2oo&>q&M}n<u}K@SEklm
zXLv`VY<3|W8Jh})BEe9^KNgwu1;f*k=}<5kOO)hl;m}+p8H2s;(Q>hcU3A_~*Q?2u
z<fSCNAG^WmDTC+jdio)4Q5M6$_9{|It1YxL;&G8exb7(<26*JDTe`2Lx9=|E0lim&
zdx&3%?}%~~w1|Ghal{(p7DY6n3i@XKk%hDVFpaJWpjTY>iOU{wc|I=B#^t$qR5D^G
h21*4q%|gBKLZ{;%;!2L&#+4i=u(-fr>T-vl{09!zP^JI?

delta 1491
zcmb7^UuaWT9LIZ--f4oiRAt4bO>VVK+9Wss+Ki1hDVwwEs#0C%{8NY5<l1wuZ4%Pl
zb=fTK7^0C|6n=Ni2NAm=bIh$~K}5zFGR6>O;)|PDC~R+I10Tf4vGY4gu7mloy?k<h
z-*bN7@45G$ldtB<ZzqW`FMRaNs}<p{i!8wDj((eS2sU;Eok_7*F1)M0!^*ea9+HF;
z9j8eUryM3-b=aiO8@z(v&Sm1kHI~jR*yJ9p=`ioUWiy_@h{sEYVAc~O$?7%F20~(3
zSY5oT{w{8@lL=VrcHu@2br0H-BAoAjpA2GQE#?)x+;iU6BEsXIJ9DAF56oG!mkLJk
z6>(ZAin(KAzMx2Hc`~g}%0(q3X5^wQ9?KQPJk4cu{rQrpX01p0Uri^?T9`{q*qfSY
z2ereMuooh&&Fv!Xq(SPUYf#mXQima^Q}P7pzQDL4%&3_nH4S?#(!;11RMS}dhAJJG
z(`kJwl+R9>hBGZ^Gb-DwGR+>yAbwLjz(S^V8qh{D4gKAtO;0nlolJ(3&v)RN0c}=*
zv}<IHhiC^`$E>N1vmZ@m_%H6;{^1_8w%>y886`iNEB@Ph=2_NIiFo0mH%v~zVmRsu
z)n1rZs&4fKZAUKPmM$VLAwET1Mtp|&9PtI>OT-eQf~X>{BW@sWBECU<i}((43-LYN
z>(e%V!iF-w(6ek%f1wfT(hNxXUu-{vqDw2`5BrFXd06z1kPuY7epnZf$gh0&+v~eu
zf%gJGkVj0D@EAB=f2s%nBsPdf`oPom9DFQobMCCq{bh$pjGr1uLs|h>s6yJ=@+brc
zR+AN26&{5@VgZ;9Zzd6@OD(PJ>yOnfq-IzSr`Y9W4UWAH5f)<`U@jt&F}~ZM+2}27
zU5l-$`l=KRN3WCPymMb&qY#b-9F0n0)n+&nUuP*P<~&ML+_k+wPR?1b`|A!1aH@Zr
zT;#3?Ep0eD0P283zUKOPU0>p9jq0kE)=(DsbDWJ2ll|4Z@h3LhYN7h$OOtj`hV;(p
zK;!D#qikHek?gCD2<$XNTkCpoCOqUd@F(14E9^*Y682d$A11ok%;iM<g)K}o+GcWv
zOgg7$i_(;u)$!tKZ^Gk*f9_#3J2LkX%j_^{4-kGVeTY4X-H0=YQ;2(rpBQw*k(H;E
zVkyt>aj%A6W$shv9%bHN=DlU!SJr74`wQcNbPY=jGA}%ZwYU`=@i+-XcwDLxr!7=(
HCl&HHG2^<0

diff --git a/.doctrees/input-output-files.doctree b/.doctrees/input-output-files.doctree
index 7763fb3c6cb6bfe8c332de0a2e0a98fc9ed1342b..4b5ec0c374acffc36d3f3c038ed2aab07a189949 100644
GIT binary patch
delta 341
zcmaE{l4;f|Ce{Ylsr*wnvetGR^+@Da7MH}Q<>!~=<(H(!mlP%D6=#-Y=I2f6=n+Dd
zE6y(}nbI-2sk@i4f3iT28DsBc_Z~UMzR77lN{sV?A`+7q_9y^F5A~R`^l&pUOb+M~
zWt_KJus4;3@gY!Nd~(Ai0mgfiCr&b$e14)l_Z^^`(xj}rAf<WC@{=Vd1u*`BtNRI5
zXQ=)SDA~hSoL^d$oH`{#v4<rmGcR?Dw`6ICTo$^1j>!&8Vmy-td&IyN2~RGZjMIR4
bYzDjl8eo7hKo?|yEDje;0UI!R{uECD!~J}g

delta 321
zcmbQWis{8lCe{YlsduMrWUcL<yrsLBsh4{)zpvQj$R2sd?#Y!sa*REbXY?pB&4mbG
z>QMv=f9Wxm>f&Z#=n*W>FG@+yFU>2_&CSd!ElDk&k~L?ub8jjO(|wQzxyci_IT-Iu
zzBtjJ`xa0`X;Rj0AT>FUS$?wDqyVO02u0t4iVQTezJQEnE6y)1N=}`Uq1eNclbM$~
z#aps8LoN&51gpsoOd>omYnTLiCO@>3pZs`|pgImy;<1?`HN}BR4`GTn+!R?Hrc42w
JGWp^ZPXOQ(aZmsN

diff --git a/.doctrees/install.doctree b/.doctrees/install.doctree
index e6f7f3368afb5b0c69a02f8a8689e4e576bb11b2..fa196b269b0b4904562f6008e27f2ee27f8011ab 100644
GIT binary patch
delta 355
zcmew~nQ6%sCe{YlsghkASsUt&dL(iyi%a6u^7Bjb@=H?VONtWniZe?x^Yf;3^a!EK
z73UX~OzD{1THnj`gk!Q`wAf^=26@Iulf4?`7#~m0Y*1qQ0uf%^pa>K`+F&a6kb{At
zN3cA<C?z?+G_OQAH#4uaB(-=-*5}P4jZ2srEhZPVt23HTe%RvAVa&<EP@0rwGWmRm
z%H)_<PsU)dWB^dofGNv&QkyiY5}kJG$w_S*jJaTCS#V`yyvC&&a#<+G>9jjDwu9BR
sAk<BM(9Vi#q+o{w<3g~qc?e~^lhKSzX50-{vjd@qZ4Fq><dvPC0EF*^^Z)<=

delta 326
zcmZ27h3V5|Ce{Ylsn0t%vNqID-d^9!^oV1!V6@oem<D;q2a{_W<QN}Lp536t^a&z-
zwLuXm{Jp`H@&07pMhV7`o820hFf*BP0yW7^zQDuAtdwOusm)-rbE`auAtwVvX;PNa
zWX4XF$$hP!Oo7PC{3f*-GI~$m-zml`SDGQ0g`zsHU3&7AHVvk1WE~j@9mZI6I5V{(
pt8PN5cEC{W+~L49A6fMrgzCv?s*{;^BCFg6Qz^}8IQe#`Cjc*_Y^4AI

diff --git a/.doctrees/interfaces.doctree b/.doctrees/interfaces.doctree
index 6d8bc9f47e9a6d60fbe7e25c4b38ee40d1c16833..bac673ced5f9ef04e75dbf048e466e80b6846ed7 100644
GIT binary patch
delta 319
zcmdn7n(@_YMwSNFsrNUstoAeNk;ttqE{RXe&o9Z#FG-CrDN4*M&Me8y&zsWGBZMkf
zoL^KjrDO7Xzh1_}lWqOY6b^DQFk~oXD3&Jm2$ts;r6lK<=9TE?X6BWaq!v%fIy8B*
zzY^nRpi+s+=lm5I4^DpXZz^>Fs0pj`OPlQi_As%Ea569yPZktVW)z&P7-}#%I9Q&O
zA1GFulqJA9IZ#My^6DVY$@7AvS@q#6b$}`jRW*V99=78A(xT+lDH)1AEIFBZsZ+dl
gOEcuMFin^p63gldH^B{Lf-DXbY``W=&JXnj0CYQR!vFvP

delta 242
zcmaF0nsLW!MwSNFscSc~toEDy(65*A;N*ONGsgXsm-)*v9+-U8Uy1P|P()%<fC5lZ
zF~F2%9|r@&<n{idj2AW+1ngmA65^a(;4e1$fS~{rKj&maUAf66!3LbXoD2-5Nm+cH
zlLLjMCf^O>oO~fTnn@R-Rtu(9P%TRxsJMr%IKQ+gIdw{gVh>ABW?t$PZ{5-ixhzbB
a&W6M?xg!j6fg2=;%OD%DL6aATdIA8#QBGd~

diff --git a/.doctrees/phono3py-api.doctree b/.doctrees/phono3py-api.doctree
index 5f1ba9402720e355b5b76e09d5032816c4aeff51..32dedad3b9a89e7ddf90088e09edeee6e7be97d2 100644
GIT binary patch
delta 360
zcmex+nPvSImWC;eJWSGBTlpAQDH!!g<W?4!#HZ!wm*nM_q{f#NCFT`pmSpDVP3h<n
zLX|7dFDjYRF@1*uV?X2N=?4`VC8j4RGRiStoL&#2E=`}O$f(5l7$jo>6#S*gXv%nD
zx`7g-1mmOao=S|yEKI7xlLJr6O%6zAV^+#in%<znXfXY%8lyaif-nO^X;PNr^gn8h
z1xyae%4|W(3{|awDtg$8^Gl18Q>SDo_ORq+=A};Y<zXz%kjp~Wt}>lpgVBR23fYWs
hyk<yaG2@p8qZ3mJvKfV7Gvsi%V<p6l>02}zJps9=bSMA-

delta 303
zcmZ2~h2`&MmWC;eJWMY&xAHNrQkecqfw7<IqR`~PlVZ~+Dl*D5o}a!^kx`EE!t@J@
zj7m%oAu?P_jEX=R9VJFnsdGXM3_XJ7`9&$o`K5U!y1AKor6sAwQ?edxuU29-W?@nm
z2AU=}IUt#hMJY=`c=E*!^3%VoG3s;32{SO1CS}P_*HdRKV6sD2W(`sHT%A#n(PH{f
zbw(K!)hg2+H5fgZB9OI&BDAPl08Q>;E6y)1N=}`Uq1eNclbM$~#aEiKG(#>6*;<w9
dI+~15Ohw2B<s%FN+I>=!QHD`&`ZG;NPXP9bUoQXv

diff --git a/.doctrees/phono3py-load.doctree b/.doctrees/phono3py-load.doctree
index 6d8738e510580d3d7948d6ad59f8fc6dad0b70cf..5564593a8dd7ef4920e9491daaaaf04fb29e196a 100644
GIT binary patch
delta 3162
zcmb_eZEO=|9Ov2%)?*tRY^5t(`*d%-*p_ZE0wXR&6h{ykieh49y|z#H+}YmMyDMxe
znUElpG$i=1iGI^B_yJ=eGsY#N_`whpV~i$zG?JKTmKfs~P(G;t=dRaXp}d%wG}q^z
z=l}Bizx@99{GGfgH@@EZ_Iq0|H)edPg~LoX2>yx&%@8S<*9?=$Dlr))hLoq|xHLl~
zgCq+~Q?)IHnIuVT`MjiNqJ+k$;!%<+np|3^MAE5fXsDBsvsv6w)6|F)_{O($zi2Ye
zphU~oF*I6cD_$&bV2RTDhXVs`;@MEoeQ`j$*ae{#tDswK?M#&R*N5dut@)PqF)t%5
z!ovHO6;lYs2TkH3;ZHc(5{Ef)wdix)jiOQjV!mFuE&lEa32@b)XkKOM_9{VP*)r&F
z-s{B`Tn;Q9tmOw6n%6ffe!d!885Ev|A6p|JwrpBa$t1kLa@_NnWzg4NF*pXFwu}p7
zAhd=zkD;cG^8gDUuu!(v)}nm6e6oB3Q`xJGS^j4oJ3A}7sO2lQ<YbfTQf@Mp)6y@M
zp}f)7YAlTo5U0+uoF-+eZ<Ev0)A1Q8pChqYO2>z3kS&P>F7ni1WF#S4Ma0C_n0WL*
z+OY8>{0!nX;70$tU8Sa+q)rv3DOxTyq$GotOTOuRZqz79Y20cm=+vP4F<LINkdoqI
z+GXrOD?Dmw@%M$5PJR&H=cHphf5nm)Q`LGz{x~9=jAUgU2_WfH#XMC_QdErsP0LxC
zW}-0R^*^uaOC4+_Bq?U)9OVqsDJD$L5*Z0(kgQfz@zrKhx~L-^OeBU*)261+#L3<)
zNom|6my3#U$Q$V57UE<N`k>QNzL29)!lYxeI)$z~4~r;Bb&HvI*^5>=6nRh>#MLFU
zaHS&%v5p;{GgjXX1}c3wTTKv_w1FU^JGAzC-nCobtpVr7PO3P%j8yyd@&6-7H3*Op
z!Ys6RJnNaaaO`s9uuF@`Lrz`lX7$dP>`Z)BKdxP_xLk9h`@Th4;^VB%M+fC=)%+@H
zTviFV;Z6cRh;9$Bz_ExY%1DbF=+PqAmb=NNn0TlZ@o@*AdQg$0=6vdK_~eAc`2;Nk
z5%{gMZOt}(adFKWeQpvu!*Vs3bCK}N)&Ly!CxvGC!apQNDxKKmf!qEkg(kQZ81gxr
zjWD!su*zy@w~j$i=@5LscGyoQa#X?(5Ps#B_?v`iOAtB(UBVD|>F=w!jCmYje4fGe
zwef&k-_?gP5c-3#RqXdDySa&Gw+YS$uM+b>Z|i^%v+z5|n`-boyLIq;OLPKqT@iu6
zxvp@WJVUAYs!p>fk{HQkT2r&~)Z}p-T$5VClr=ROuMUEQr5LowlF4+fIK|u@&n)c6
zf&)T<Lyr$uqG#^tn~81L^6UznL0d39>xfpFZdMz)XB1J6-V3Guv3SLiR_3@*yaZsr
z{q+NL`950#$l#j4)4PG4hVb(KM&%9MhL_vByGzT_bw*2<*;^%_waiPhT2{(jU~c)Q
zJ?x!(dcme=_&u`-K8PLfL}-0&g}4g^vkK}Yjn)*@*{xGhIKA#yVS#54pXa*w<CC}0
z&F((oYhDK5#!49$;ChhYDQ|mc?~@uY&TbtqD@q?8VN@kB5$b^NLPKyc^xX2aq>>bc
z4?<K}v;ZtZEPNE#9KeO}Bf@Q~g`*V!i#%P}!rK(SvM(O4!MDb43}Rd5#LBqSvuFW#
zZ2eLL+}W)IeEw%52%bJKzg3Be3X-rFBE8!@`1g577iXJS8M#a1hu#q`(H;!(zfFD2
z_4aY!Q?~ZF=ZK})zhv4)^_u#k5xl@vF?4(3JQ=7CK1ZL2fP?R#PieEK-YQ59d?w7z
zhX>DjgoXK!Hsrm-r9ghhFekH`W~!P=Crw>a4VlxmJXcy>duC|5S)PM+Q8P3=H0)fe
zynJ1~9R20B=l2@88Vw7#;HPK^Z>s-9dmDWX&dH8g1W#UwjR-g4d@SH;YJiKeq3v_1
z%6gPD_@|u0N3rBn@s@AS6sW;(jtUo;v(Dcvveo=9*~12vQ_vB=C0v8%&6k96xUzYD
U!xQL<vke*&3D52Z*p?Xo7Z-%mWdHyG

delta 2125
zcmbtVOKe+36wS;_O6??W;{5#l9siQFa^3gRHYGsw5sKTUbx0&yb<;L({L-<BKlMjZ
z7DceAC{n~CH%KgkL>5IsP_+;cNUh3-t`MvdQYEs26;h$1M2aXg<M-_6C{!ReZ|pNO
z=iGB=?wyZQf6X+#(e!Rn`Lro%LFeIH%Zq)aL~})r<mSjsp60T-!}-M->ufHQNo12R
ztkCB!tn^c5X`HV`1nxCY!>V-*x|=;{@5WS%if{vhO}ApPQ9}JRK)2!R)>D`beoM3p
zZovs#AEtl8>#~f_z@rvF+_oKnUt~K>v>wADLDAh-p-2<d&_IJ!Dqm*G3ar@__+Vc%
zCJ077UOo)E!faTU6|1qug8=!$GJQgQrwz<mqv67irt^&q;o?%hT!Q1B@^P||Dp8Wl
za{ty6)kspCOO)qJWG*$YWfK{#SeKYf`9vX+DMl9)nfaLrOi5jn5o<MV6*x*>WjsYK
zQJAHv>=lwPXmeUY%g!>5LQ*S`RI!%nIzlpRg=wh^4Z~_UAo4OT^3rG5^AfKaQkDiu
zX)&*fKslxENH#lKxxVt|$~AU=fplEtZpdJuWRm(OMSkUfv~AuFS38^|oyG+*hb^uM
zJEz?zYZ1IAyo7f3f+J+782n@(!q=X$2Sv<VguS+!J$4m+ryG|0U&0_bV!P^w{>@>T
zW&VE}Zi;ZiyM}|wuvtuaLUCB`Jd5u>W1B>Vcc$+Y{!VPL)^y;O*MZ}rXbf;d6pc+3
zje$8~xIGB(_q4Y;_-(6J6WxNb_F%VIYn1w9y+}n_gWGWlHNd7*wf5-ubsNE#juUuW
zh#KIQ5UmjD7_B2h1Mr?a0Mm{R*p_=xm{WGkI;9_*T0<08<!Fm3Wqx?-P%Xw<@3ODA
zqN5}AItMdnD}7IIb|jZCrE=LKucm^=K`ooqk`Z#bTq1e+!{tX-aJYSg)utH#uLR~;
zV=&_J9gOLIOa<9m&=N`3l?%D@6>2`%7_2#6aMv9|=Xg#mE<GnPi1-PL3GW8>a@D(z
z)O&}EzMs(okAQvWNSuAwoKE<j1kqc9+pBXg2<`>JZD6G;w~o|vqjgvfOn?$Nhf_sZ
z3TO=ALhE1;US!{^!Ey8z7lB)jz3l&^pscP}(@-f~(V6yD4uqdaxu_+hrh{H*0S%#>
z)j<4}aBG2V+z-hJZE_iFSoiV}Lr3o*ddRGfpx<{+J?K5krdXhut#kL$+Mf^m&WKG;
zXzf3QyCm`4RY~C!ugs?T#WS!USzMK>(h>TY6%T>%{zH4{Z>*+laAE&F6x(nfcn70}
zjgKN32~H{{mpY^x?Ns8wE8UZ|?=K{nQhVT6#fvteRrR9JA)*HG0}dZ!&<*t{`V8)?
z4*ZP-Kd9>SF^ScQCq2%F^eFq3mn{4_<4;DBKM85R;D(rgyG-r;k?_#o^eBuCJVDoC
i=<prX2(K_nBHQ)^(x{O=oPMVp)FTRhD#7fLlYaxnQ?Xb8

diff --git a/.doctrees/qe.doctree b/.doctrees/qe.doctree
index f4792b1828bfc38d54dec7ce5f728e9ecbe74b81..50e3a4051d22596b95020603ef92051f4ba004ea 100644
GIT binary patch
delta 356
zcmaD*wz{09fpzMFjV!KO){?3U1sVBy`Njp63c9*!$-2drxw)w&MU`ArGT39MWEk||
zR57_qD@|0dJR`LzRUrXI@8l0!0V=#GLNL=%MK?!jPv$b}k;ttqE{RXe&o9Z#FG-Cr
zDN4*M&Me8y&zsWGBZMkfoL^KjrDO72(_Y4a$p<aPCr>hySMXzDV8~F&P%KUA5iHLy
zN=eQy%`4H(&CDw;NiCj|<v;nNnG$0HSUI=3BBS4AU2{_@U!W$e%HucJn7c4BE&!@m
zXPFCBHHk@PGKZA`$7~?GG%0J&WCyDR#@%4)9Z=~PRzi$hC;zsRW}H1)+}aZWdbNJq

delta 274
zcmZ2o{-BJdfpu!=Miy5sLlISlf{gsUeB**j1zp|Z%3R&FWUeV0?6Ffa40^ChPHxdk
z6VNQrNG(cLNPy{>{9h|TiUY=jX@?7JF4msRHQB<fm&uQ1@<c7M$#>1<8GR=IHIrlX
zoh)On#1sb+4l`E-3Rjq$GI~#5XD-1QyZN}e3lq~kkgVL~1XeaSrL5U33=ET)WF`k&
z8F0)5vP+Y)W=-z4N?_WFtZExnm9e#u>}DXlhpjljv?w`sN`_(&OHO89>J)Fu(hRw*
JnUj;OJpuX$R?`3g

diff --git a/.doctrees/random-displacements.doctree b/.doctrees/random-displacements.doctree
index d7a78525b1c421bf538305fab65a2b1eb3dfbd69..a50f3aac25d9f94e741f4cb8a8b9b7438c3e3b37 100644
GIT binary patch
delta 582
zcmbPpgz@STMwSNFsa_jd_}R?GgHm%6OHxx5lJj$O6Z29O@(W5b^Ye<QWU$9h$uQ`_
zA-~y$Z7rvjco9UiE>yEFOmkv}2vE0J?35mu5;XHSs|pkvO<v&UHTjxT%49!x$;oBT
z0+S6K<t7`rs7&7JUc$7Vb+Tcc*yIBm9FzYE3r&vqketl#D#>UwS<}^Ma)PS|(|*>;
zjfRqH90eKqdHKc#l`t101X`ywPN|)uk)f1ze6pgWA!l5MLWUxcw|}y(n<7a6M<IjB
z4Q>jPr#U$=-N&@g6zD7~XB(#XAe+J%zk>|nN`V>z6qHp`n>>MsW%5jSg~=f<1)Fs}
z8W|b0H?Q|R$-<aBxzaC&D;KI*nQd}|lNh7P<b`fhlezts;4JCMasDBUC6f;Zicdb}
z|C6y|@{xcgKr%Bh7)Y-7l-YbUa5*z$)#S#|ZlKY;VKVGSJrcQ<#U=4+`S~Sz`6a3G
zB}IvO#hIX3o6^xEgeq5@UsN)sW3py!FJtCpgE)!F=VRp<(<i?Jk{OeE<CGXHfua^b
zk<2(##<a=v<0Kd>Ht&dA#KgD*C?P({mXA#-Yb!eg!{miLGLsi28Zd62d^yn*0D6<s
AP5=M^

delta 487
zcmcb5gmKOhMwSNFse&6>_}L6af>Lu5OHxx5ic?EUGV{_EN)pqHr)03lPRTIn!6v!c
zi)}5ZiAWJdn=VwFE?8S)h6qrfSnQM@m^`wvn+*jDjVAwbb(s9dDP{5kH=D_s&H|GI
z9JnWcce7<$$vXL=r~zk0hC+s7hEmqT$@%WulV>|COy1>Qz_@p^flD%@<K$Z|nv?gs
zaI)&=<R_*~KIY=Vcy_X*gVf}oR{Bg=!3IojaOD6BcDgD8$v`K=$#+~8CNFaGVtflU
z!fSH7o8;sGXGx~NAjLY91!P$!&vI9oyxX~CvzA9ABV*R)HJ&F~7;`3<`NeSMK;5Fu
zHu=217`MKvLP17;UcPZb<z#z*H6dsqp$b<q7Ej*bDL(n4|4+v9$pwKTlkW#i0JDOD
z<Qh+z%?|>XGc#6B?g;G$+9nbv!#+7FwwEz|@`qS6#?;B`adM1llilK!fT};lN=$By
zQvixCiZf+NVP{~NY!D~PSho3N+#)8XZS0c`UF0S|U}a-b%G%66+0jOR@|{F|#*LGC
Gk~{%Q>9Jk_

diff --git a/.doctrees/reference.doctree b/.doctrees/reference.doctree
index d8c25b5f4d971d18ba3cc9b5289c0f2b3ed5bbac..569adf55ac137e0cca175b6914287831e0e9021d 100644
GIT binary patch
delta 290
zcmX?~)0oTBz&f>TBTKxVQIAA!WpPP-T7G^>UVcexd`VGaUU6ngW`5q3jvgUYx#Iky
zk|`aNll6KT*H8YaXU4d8vWC7K<GRW2`bv!Zfg%!<oAeccqKoxSS=KN!FibYo7iHYH
z`IG)5CPv1|6HL`v{((db`D7-`7#nc>0dh){vi?q%H&vNjVeH5#16Cu+0#_rbnk5G0
z^{^G^mlh?bPRY>eVadtNOP%5^P@18gg<?Roi5sIC*Z^ZB1DLYJCjT*!Mz*VfF#xR0
Q7fsnKQ)$LOliAEX0a*-RS^xk5

delta 219
zcmZq7J)gtUz&h1sBTKyA<f(eSjB6*)(U+KPtuM#8dU6zyTr;^+Ux{%qP}Bk_a#i0{
zY85jBLyus2eo;zteraBbZf<5?X-R7Fl&n3QRSX_6G5u$r{MJ~F@y}#^V}FicK*gm=
zS-&R-nyO4*W$ef(HTjLPI+HldWCLS;rYw=kdZuE$0;L(+Stu%dP23nwz$y)qR7xWo
WSHS28R^W}KK#WZdY}8~6Gfw~r3`t7>

diff --git a/.doctrees/tips.doctree b/.doctrees/tips.doctree
index ae1b61d077140dbaddd2ea3cdf80c1b7b3a6908d..9c1916dacfe69714b94e0f5b081b40893beb6858 100644
GIT binary patch
delta 235
zcmdmThw<4RMwSNFsnHu*?9+{UByuZ@OXAb=^GovbOH$)YiW2jRGfOh_^QLt42%*Xq
z=NFYs>6q-C-plAR`C_^mqtj%L3^_*U$?6$Oj3Gb~iOESB3P9233{w_Ib_RyYf*GQW
z!J98-Twr3H3X~V0ydXz_anj_CIR=w|XUlU>0IDfX%9;pL`kqaGvP+H&;|938wLo=-
kjH@P}&lMBkEX|P1LRYSl>%({ouKYM$xisU1$**%g0V%;)B>(^b

delta 224
zcmaEMhjGgtMwSNFshS&E?9(TgruVWsu`@6fPZnero-CCi&*(7ODnpLZadKpa5^E4#
zW^#riP-bg}sgylXtVggszbGX+zcjBzH#ak{v?R57N><=zmdp!GtdpU7<XOEkl(HsF
zKA&qaSvN<XyALQ{nv~TKq$a;-lb>9c<HEWQMeS;!T0_PalNs~G1UO4G<g(DUMCJOh
So<PxZ6s|>@v2U_$o+kkQMMN0@

diff --git a/.doctrees/turbomole.doctree b/.doctrees/turbomole.doctree
index 95b380a65563f058dca738d840c6111bdd6af1ae..f568ae2dd1129484e1e1ebc9bdd8e1d6948656db 100644
GIT binary patch
delta 241
zcmbQ%&UmSvk)?rk>hX;%n{*jnC+S&=rX}kZSLWuXmK0TTP03)7oswbD1CroIlGtpo
zca7huM<TbfxFkL;Kffd|za%xjq$n}3II|=(KW|D$j}WR{aeh(Bl#a=wcD;<NCVy}g
zpS;UXo^i$GTXu4cD<}W7Q)1i&7B#k41d4{*n@TNbVPNPHEYB}WNzO0LE78r(%quNP
zEuNCKbMq2=ZzjfHK=tZO-&rO(>reJ@lIQpeR9~8u^=)##Q#z9<>*SA)YK%gY|2r8n
Q@=rE&mS+4q+1J?<0Px{kp8x;=

delta 207
zcmccA&N!`|k)?rkYWGH#O}dN@lkclaPQIY4AW&SHtDBb0H6?>Rc1ngp4_tx`BC*+1
z?;8K)K)YV16)cktjl?E@vy*3BHd)MGj&b>9Q+p+*9T4Gsdqtq|M0-<~r7R2#ljZG2
z8MkkKVDHVu^aG?oZt?_q77ptSrL3<YX+>R`$x+UNlUtnRIX(jgN|Um_OkVAj&Lqr=
XqF8_xu2_hXcXF<?G~?&Voz9*BYZyWP

diff --git a/.doctrees/vasp.doctree b/.doctrees/vasp.doctree
index 3cd00589492ad34fc10fe0351e6c40360f8cdf60..e1ce4280f343de8197c72059450ea66bc41c68df 100644
GIT binary patch
delta 341
zcmZ2Bm+|9VMwSNFsn0gD@GDqLswxy@<mcrZ7gQ?f>ZT>@7FXuxrj`^{a!tu#kDZcX
z(1TOOWEX`rAqPeVh6EIio3|@CGaB%sh{4Q46K$Q+IHh)qMut+>v&j?X4JZFo65X7p
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diff --git a/.doctrees/wigner-solution.doctree b/.doctrees/wigner-solution.doctree
index cf83d033db3f94865d49fff609d7d46cc798f29f..b3f7fa300e9b89eee1aa0a340bbec7b195acfe7a 100644
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diff --git a/.doctrees/workflow.doctree b/.doctrees/workflow.doctree
index d78fbd709d96502f8afa7ac71b402e7085bd2628..43fd4f72fe4a5ec38ea91e84c8090334876b3c28 100644
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diff --git a/.doctrees/workload-distribution.doctree b/.doctrees/workload-distribution.doctree
index 083d76bc5b1ce7e2780dd5cb350a797baf385307..82482f60a00452d98ad113ba624664b077be9cf3 100644
GIT binary patch
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diff --git a/README.html b/README.html
index 34e13fc1..25fb8678 100644
--- a/README.html
+++ b/README.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>How to write phono3py documentation &#8212; Phono3py v.3.3.3</title>
+    <title>How to write phono3py documentation &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/_sources/auxiliary-tools.md b/_sources/auxiliary-tools.md
index c54c9741..52a44915 100644
--- a/_sources/auxiliary-tools.md
+++ b/_sources/auxiliary-tools.md
@@ -39,7 +39,7 @@ Let's compute lattice thermal conductivity of Si using the `Si-PBEsol` example
 found in the example directory.
 
 ```bash
-% phono3py --mesh="11 11 11" --sym-fc --br
+% phono3py --mesh="11 11 11" --fc-symmetry --br
 ```
 
 Then using the output file, `kappa-m111111.hdf5`, run `phono3py-kaccum` as
diff --git a/_sources/changelog.md b/_sources/changelog.md
index 6f6212fe..661b84f6 100644
--- a/_sources/changelog.md
+++ b/_sources/changelog.md
@@ -2,7 +2,12 @@
 
 # Change Log
 
-## Jul-22-2024: Version 3.3.3
+## Aug-8-2024: Version 3.3.4
+
+- Fix of command line user interface.
+- Fix of phono3py yaml parser.
+
+## Aug-6-2024: Version 3.3.3
 
 - Provide functionality by `--cf3` and `--cf2` command options to create force
   constants from displacement-force dataset of random displacements when
diff --git a/_sources/command-options.md b/_sources/command-options.md
index 8979cc06..635150fb 100644
--- a/_sources/command-options.md
+++ b/_sources/command-options.md
@@ -2,6 +2,10 @@
 
 # Command options / Setting tags
 
+(use_config_with_option)=
+
+## Use of configuration file
+
 Phono3py is operated with command options or with a configuration file that
 contains setting tags. In this page, the command options are explained. Most of
 command options have their respective setting tags.
@@ -27,13 +31,19 @@ CELL_FILENAME = POSCAR-unitcell
 where the setting tag names are case insensitive. This is run by
 
 ```bash
-% phono3py setting.conf [command options]
+% phono3py setting.conf [OPTIONS]
 ```
 
 or
 
 ```bash
-% phono3py [command options] -- setting.conf
+% phono3py [OPTIONS] -- setting.conf
+```
+
+When using `phono3py-load` (see also {ref}`phono3py_load_command`)
+
+```bash
+% phono3py-load --config setting.conf [OPTIONS]
 ```
 
 ```{contents}
@@ -201,15 +211,32 @@ When using with `--cf2`, `--cf3` has to be specified simultaneously as below,
 
 ### `--dim` (`DIM`)
 
+**`phono3py-load` doesn't have this option.**
+
 Supercell dimension is specified. See the detail at
-<http://phonopy.github.io/phonopy/setting-tags.html#dim>. When a proper
-`phono3py_disp.yaml` exists in the current directory, this is unnecessary to be
-specified.
+<http://phonopy.github.io/phonopy/setting-tags.html#dim>. When
+`phono3py_disp.yaml` is found in the current directory, it is read
+automatically. Since supercell dimension is written in this file, `--dim` is
+unnecessary to specify. For example, just
+
+```bash
+% phono3py --fc-symmetry
+```
+
+or
+
+```bash
+% phono3py --symfc
+```
+
+can be used to calculate force constants.
 
 (dim_fc2_option)=
 
 ### `--dim-fc2` (`DIM_FC2`)
 
+**`phono3py-load` doesn't have this option.**
+
 Supercell dimension for 2nd order force constants (for harmonic phonons) is
 specified. This is optional. When a proper `phono3py_disp.yaml` exists in the
 current directory, this is unnecessary to be specified.
@@ -228,7 +255,7 @@ supercell size and these force calculations have to be done in addition to the
 usual force calculations for 3rd order force constants.
 
 ```bash
-% phono3py -d --dim="2 2 2" --dim-fc2="4 4 4" -c POSCAR-unitcell
+% phono3py -d --dim 2 2 2 --dim-fc2 4 4 4 --pa auto -c POSCAR-unitcell
 ```
 
 After the force calculations, `--cf2` option is used to create `FORCES_FC2`.
@@ -253,10 +280,11 @@ that created in the usual phono3py run without `--dim-fc2` option.
 ### `--pa`, `--primitive-axes` (`PRIMITIVE_AXES`)
 
 Transformation matrix from a non-primitive cell to the primitive cell. See
-phonopy `PRIMITIVE_AXES` tag (`--pa` option) at
-<http://phonopy.github.io/phonopy/setting-tags.html#primitive-axis>. When a proper
-`phono3py_disp.yaml` exists in the current directory, this is unnecessary to be
-specified.
+phonopy `PRIMITIVE_AXES` tag (`--pa` option) at [primitive-axis
+(phonopy)](https://phonopy.github.io/phonopy/setting-tags.html#primitive-axes-or-primitive-axis).
+When `phono3py_disp.yaml` contains this information and `phono3py_disp.yaml` is
+read when running `phono3py` or `phono3py-load` command, this is unnecessary to
+be specified.
 
 ### `--mass` (`MASS`)
 
@@ -273,24 +301,45 @@ web page](https://phonopy.github.io/phonopy/setting-tags.html#magmom).
 (create_displacements_option)=
 ### `-d` (`CREATE_DISPLACEMENTS = .TRUE.`)
 
-Supercell with displacements are created. Using with `--amplitude` option,
-atomic displacement distances are controlled. With this option, files for
-supercells with displacements and `phono3py_disp.yaml` file are created. `--pa`
-should be specified if the input unit cell structure is not a primitive cell,
-e.g., `--pa="F"` if the input unit cell has F-centring.
+**`phono3py-load` doesn't have this option.**
+
+Supercells with displacements and `phono3py_disp.yaml` are created. Using with
+`--amplitude` option, atomic displacement distances are controlled. With this
+option, files for supercells with displacements and `phono3py_disp.yaml` file
+are created.
 
+It is recommended to use this option with `--pa auto` option to store
+information about primitive cell (`primitive_matrix` key) in
+`phono3py_disp.yaml`, e.g.,
+
+```bash
+% phono3py -c POSCAR-unitcell -d --dim 2 2 2 --dim-fc2 4 4 4 --pa auto
+```
 
 (random_displacements_option)=
 ### `--rd` (`RANDOM_DISPLACEMENTS`), `--rd-fc2` (`RANDOM_DISPLACEMENTS_FC2`) and `--random-seed` (`RANDOM_SEED`)
 
+**`phono3py-load` doesn't have this option.**
+
+See also {ref}`random-displacements`.
+
 Random directional displacements are generated for fc3 and fc2 supercells by
 `--rd` and `--rd-fc2`, respectively. `--amplitude` and `--random-seed` options
 may be used together. These are used in the equivalent way to [`--rd` of
 phonopy](https://phonopy.github.io/phonopy/setting-tags.html#random-displacements).
 
+Like `-d` option, it is recommended to specify `--pa auto` together with `--rd`
+and/or `--rd-fc2`,
+
+```bash
+% phono3py -c POSCAR-unitcell --dim 2 2 2 --dim-fc2 4 4 4 --rd 100 --rd-fc2 2 --pa auto
+```
+
 (amplitude_option)=
 ### `--amplitude` (`DISPLACEMENT_DISTANCE`)
 
+**`phono3py-load` doesn't have this option.**
+
 Atomic displacement distance is specified. This value may be increased for the
 weak interaction systems and decreased when the force calculator is numerically
 very accurate.
@@ -303,13 +352,13 @@ The default value depends on calculator. See
 
 Choice of force constants calculator.
 
-```
-% phono3py --fc-calc symfc ...
+```bash
+% phono3py-load --fc-calc symfc ...
 ```
 
 To use different force constants calculators for fc2 and fc3
-```
-% phono3py --fc-calc "symfc|" ...
+```bash
+% phono3py-load --fc-calc "symfc|" ...
 ```
 Those for fc2 and fc3 are seprated by `|` such as `symfc|` . Blank means to
 employ the finite difference method for systematic displacements generated by
@@ -320,8 +369,8 @@ the option `-d`.
 
 Special options for force constants calculators.
 
-```
-% phono3py --fc-calc-opt "cutoff=8" ...
+```bash
+% phono3py-load --fc-calc-opt "cutoff=8" ...
 ```
 
 Similarly to `--fc-calc`, `|` can be used to separated those for fc2 and fc3.
@@ -336,6 +385,9 @@ Similarly to `--fc-calc`, `|` can be used to separated those for fc2 and fc3.
 
 These are shortcuts of `--fc-calc symfc` and `--fc-calc alm`, respectively.
 
+Please be careful that `--symfc` and `--sym-fc` (deprecated) are similar, but
+different.
+
 ## Force constants
 
 (compact_fc_option)=
@@ -352,16 +404,16 @@ data size becomes large. If the input crystal structure has centring
 {ref}`--pa <pa_option>` is necessary to have smallest data size. In this case,
 `--pa` option has to be specified on reading. Otherwise phono3py can recognize
 if `fc2.hdf5` and `fc3.hdf5` are compact or full automatically. When using with
-`--sym-fc`, the calculated results will become slightly different due to
+`--fc-symmetry`, the calculated results will become slightly different due to
 imperfect symmetrization scheme that phono3py employs.
 
 ```bash
-% phono3py --dim="2 2 2" --cfc --pa="F" -c POSCAR-unitcell
+% phono3py-load --compact-fc
 ```
 
 (symmetrization_option)=
 
-### `--sym-fc` (`FC_SYMMETRY = .TRUE.`)
+### `--fc-symmetry` (`FC_SYMMETRY = .TRUE.`)
 
 Second- and third-order force constants are symmetrized. The index exchange of
 real space force constants and translational invariance symmetry are applied in a
@@ -390,15 +442,16 @@ supercell size and the second choice is using `--cutoff-pair` option.
 
 ### `--cutoff-pair` or `--cutoff-pair-distance` (`CUTOFF_PAIR_DISTANCE`)
 
-This option works differently for the `-d` and `--rd` options.
+This option works in two ways.
 
-For `-d`, A cutoff pair-distance in a supercell is used to reduce the number of
-necessary supercells with displacements to obtain third order force constants.
-As the drawback, a certain number of third-order-force-constants elements are
-abandoned or computed with less numerical accuracy. More details are found at
-{ref}`command_cutoff_pair`.
+When using with `-d` options, a cutoff pair-distance in a supercell is used to
+reduce the number of necessary supercells with displacements to obtain third
+order force constants. As the drawback, a certain number of
+third-order-force-constants elements are abandoned or computed with less
+numerical accuracy. More details are found at {ref}`command_cutoff_pair`.
 
-For `--rd`, `--cutoff-pair VAL` is equivalent to `--fc-calc-opt "cutoff=VAL"`.
+When using with an external force constants calculator, `--cutoff-pair VAL` works
+equivalent to `--fc-calc-opt "cutoff=VAL"`.
 
 ### `--alm`
 
@@ -436,10 +489,10 @@ The mapping table between grid points to its indices is obtained by running with
 `--loglevel=2` option.
 
 ```bash
-% phono3py --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="19 19 19" --fc3 --fc2 --br --write-gamma --gp="0 1 2 3 4 5"
+% phono3py-load --mesh 19 19 19 --br --write-gamma --gp 0 1 2 3 4 5
 ```
 
-where `--gp="0 1 2 3 4 5"` can be also written `--gp="0,1,2,3,4,5"`. `--ga`
+where `--gp 0 1 2 3 4 5` can be also written `--gp="0,1,2,3,4,5"`. `--ga`
 option below can be used similarly for the same purpose.
 
 (ga_option)=
@@ -447,10 +500,10 @@ option below can be used similarly for the same purpose.
 ### `--ga` (`GRID_ADDRESSES`)
 
 This is used to specify grid points like `--gp` option but in their addresses
-represented by integer numbers. For example with `--mesh="16 16 16"`, a q-point
-of (0.5, 0.5, 0.5) is given by `--ga="8 8 8"`. The values have to be integers.
+represented by integer numbers. For example with `--mesh 16 16 16`, a q-point
+of (0.5, 0.5, 0.5) is given by `--ga 8 8 8`. The values have to be integers.
 If you want to specify the point on a path,
-`--ga="0 0 0 1 1 1 2 2 2 3 3 3 ..."`, where each three values are recognized as
+`--ga 0 0 0 1 1 1 2 2 2 3 3 3 ...`, where each three values are recognized as
 a grid point. The grid points given by `--ga` option are translated to grid
 point indices as given by `--gp` option, and the values given by `--ga` option
 will not be shown in log files.
@@ -466,7 +519,7 @@ band indices where the values are calculated and summed and averaged over those
 bands.
 
 ```bash
-% phono3py --fc3 --fc2 --dim="2 2 2" --mesh="16 16 16" -c POSCAR-unitcell --nac --gp="34" --bi="4 5, 6"
+% phono3py-load --mesh 16 16 16 --nac --gp 34 --bi "4 5, 6"
 ```
 
 This option may be also useful to distribute the computational demand such like
@@ -489,7 +542,7 @@ calculated divided these integers by sampling mesh numbers for respective
 reciprocal axes.
 
 ```bash
-% phono3py --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="19 19 19" --wgp
+% phono3py-load --mesh 19 19 19 --wgp
 ```
 
 (stp_option)=
@@ -502,7 +555,7 @@ large a calculation is. Only those for specific grid points are shown by using
 with `--gp` or `--ga` option.
 
 ```bash
-% phono3py --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="19 19 19" --stp --gp 20
+% phono3py-load --mesh 19 19 19 --stp --gp 20
 ```
 
 ## Brillouin zone integration
@@ -533,7 +586,7 @@ This is used when we want to test several $\sigma$ values simultaneously.
 The tails of the Gaussian functions that are used to replace delta functions in
 the equation shown at {ref}`--full-pp <full_pp_option>` are cut with this
 option. The value is specified in number of standard deviation.
-`--sigma-cutoff=5` gives the Gaussian functions to be cut at $5\sigma$. Using
+`--sigma-cutoff 5` gives the Gaussian functions to be cut at $5\sigma$. Using
 this option scarifies the numerical accuracy. So the number has to be carefully
 tested. But computation of phonon-phonon interaction strength becomes much
 faster in exchange for it.
@@ -614,27 +667,27 @@ database of the natural abundance data for elements, which refers Laeter _et
 al._, Pure Appl. Chem., **75**, 683 (2003).
 
 ```bash
-% phono3py --dim="3 3 2" -v --mesh="32 32 20" -c POSCAR-unitcell --br --isotope
+% phono3py-load -v --mesh 32 32 20 --br --isotope
 ```
 
 ### `--mass-variances` or `--mv` (`MASS_VARIANCES`)
 
 Mass variance parameters are specified by this option to include phonon-isotope
 scattering effect in the same way as `--isotope` option. For example of GaN,
-this may be set like `--mv="1.97e-4 1.97e-4 0 0"`. The number of elements has to
+this may be set like `--mv 1.97e-4 1.97e-4 0 0`. The number of elements has to
 correspond to the number of atoms in the primitive cell.
 
 Isotope effect to thermal conductivity may be checked first running without
 isotope calculation:
 
 ```bash
-% phono3py --dim="3 3 2" -v --mesh="32 32 20" -c POSCAR-unitcell --br
+% phono3py-load -v --mesh 32 32 20 --br
 ```
 
 Then running with isotope calculation:
 
 ```bash
-% phono3py --dim="3 3 2" -v --mesh="32 32 20" -c POSCAR-unitcell --br --read-gamma --mv="1.97e-4 1.97e-4 0 0"
+% phono3py -v --mesh 32 32 20 --br --read-gamma --mv 1.97e-4 1.97e-4 0 0
 ```
 
 In the result hdf5 file, currently isotope scattering strength is not written
@@ -648,7 +701,7 @@ A most simple phonon boundary scattering treatment is included. $v_g/L$ is just
 used as the scattering rate, where $v_g$ is the group velocity and $L$ is the
 boundary mean free path. The value is given in micrometre. The default value, 1
 metre, is just used to avoid divergence of phonon lifetime and the contribution
-to the thermal conducitivity is considered negligible.
+to the thermal conductivity is considered negligible.
 
 (ave_pp_option)=
 
@@ -691,13 +744,13 @@ option is strongly recommended.
 First, run full conductivity calculation,
 
 ```bash
-% phono3py --dim="3 3 2" -v --mesh="32 32 20" -c POSCAR-unitcell --br
+% phono3py-load -v --mesh 32 32 20 --br
 ```
 
 Then
 
 ```bash
-% phono3py --dim="3 3 2" -v --mesh="32 32 20" -c POSCAR-unitcell --br --read-gamma --ave-pp -o ave_pp
+% phono3py-load -v --mesh 32 32 20 --br --read-gamma --ave-pp -o ave_pp
 ```
 
 ### `--const-ave-pp` (`CONST_AVE_PP = .TRUE.`)
@@ -715,7 +768,7 @@ $\text{eV}^2$.
 See also {ref}`reference papers <ave_pp_reference>`.
 
 ```bash
-% phono3py --dim="3 3 2" -v --mesh="32 32 20" -c POSCAR-unitcell --br --const-ave-pp=1e-10
+% phono3py-load -v --mesh 32 32 20 --br --const-ave-pp 1e-10
 ```
 
 (normal_umklapp_option)=
@@ -739,7 +792,7 @@ The data are stored in `kappa-mxxx(-gx-sx-sdx).hdf5` file and accessed by
 below:
 
 ```bash
-% phono3py --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="11 11 11" --fc3 --fc2 --br --nu
+% phono3py-load --mesh 11 11 11 --fc3 --fc2 --br --nu
 ...
 % ipython
 
@@ -820,7 +873,7 @@ $$
 Specific temperatures are specified by `--ts`.
 
 ```bash
-% phono3py --fc3 --fc2 --dim="2 2 2" -v --mesh="11 11 11" -c POSCAR-unitcell --br --ts="200 300 400"
+% phono3py-load -v --mesh 11 11 11 -c POSCAR-unitcell --br --ts 200 300 400
 ```
 
 ### `--tmax`, `--tmin`, `--tstep` (`TMAX`, `TMIN`, `TSTEP`)
@@ -830,7 +883,7 @@ See phonopy's document for the same tags at
 <http://phonopy.github.io/phonopy/setting-tags.html#tprop-tmin-tmax-tstep>.
 
 ```bash
-% phono3py --fc3 --fc2 --dim="2 2 2" -v --mesh="11 11 11" -c POSCAR-unitcell --br --tmin=100 --tmax=1000 --tstep=50
+% phono3py-load -v --mesh 11 11 11 --br --tmin 100 --tmax 1000 --tstep 50
 ```
 
 ## Non-analytical term correction
@@ -918,7 +971,7 @@ to `gammas-mxxx-gx(-sx)-tx-bx.dat` in THz (without $2\pi$) with respect to
 samplied frequency points of $\omega$ in THz (without $2\pi$).
 
 ```bash
-% phono3py --fc3 --fc2 --dim="2 2 2" --mesh="16 16 16" -c POSCAR-unitcell --nac --q-direction="1 0 0" --gp=0 --ise --bi="4 5, 6"
+% phono3py-load --mesh 16 16 16 --nac --q-direction 1 0 0 --gp 0 --ise --bi "4 5, 6"
 ```
 
 (rse_option)=
@@ -945,7 +998,7 @@ $\Delta_\lambda(\omega)$ is written to `deltas-mxxx-gx-sx-tx-bx.dat` in THz
 (without $2\pi$).
 
 ```bash
-% phono3py --fc3 --fc2 --dim="2 2 2" --mesh="16 16 16" -c POSCAR-unitcell --nac --q-direction="1 0 0" --gp=0 --rse --sigma="0.1" --bi="4 5, 6"
+% phono3py-load --mesh 16 16 16 --nac --q-direction 1 0 0 --gp 0 --rse --sigma 0.1 --bi "4 5, 6"
 ```
 
 (spectral_function_option)=
@@ -982,7 +1035,7 @@ THz (without $2\pi$) with respect to samplied frequency points of $\omega$ in
 THz (without $2\pi$), and `spectral-mxxx-gx.hdf5`.
 
 ```bash
-% phono3py --fc3 --fc2 --dim="2 2 2" --mesh="16 16 16" -c POSCAR-unitcell --nac --q-direction="1 0 0" --gp=0 --spf
+% phono3py-load --mesh 16 16 16 --nac --q-direction 1 0 0 --gp 0 --spf
 ```
 
 ```{note}
@@ -1026,7 +1079,7 @@ $$
 See also {ref}`reference papers <spectral_function_reference>`.
 
 ```bash
-% phono3py --fc2 --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="16 16 16" --jdos --ga="0 0 0  8 8 8"
+% phono3py-load --mesh 16 16 16 --jdos --ga 0 0 0 8 8 8
 ```
 
 When temperatures are specified, two classes of weighted JDOS are calculated.
@@ -1052,7 +1105,7 @@ $$
 See also {ref}`reference papers <spectral_function_reference>`.
 
 ```bash
-% phono3py --fc2 --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="16 16 16" --jdos --ga="0 0 0  8 8 8" --ts=300
+% phono3py-load --mesh 16 16 16 --jdos --ga 0 0 0 8 8 8 --ts 300
 ```
 
 This is an example of `Si-PBEsol`.
@@ -1081,13 +1134,13 @@ Mode-Gruneisen-parameters are calculated from fc3.
 Mesh sampling mode:
 
 ```bash
-% phono3py --fc3 --fc2 --dim="2 2 2" -v --mesh="16 16 16" -c POSCAR-unitcell --nac --gruneisen
+% phono3py-load -v --mesh 16 16 16 --nac --gruneisen
 ```
 
 Band path mode:
 
 ```bash
-% phono3py --fc3 --fc2 --dim="2 2 2" -v -c POSCAR-unitcell --nac --gruneisen --band="0 0 0  0 0 1/2"
+% phono3py-load -v --nac --gruneisen --band "0 0 0  0 0 1/2"
 ```
 
 ## File I/O
@@ -1199,7 +1252,7 @@ Phonon frequencies, eigenvectors, and grid point addresses are stored in
 may be required depending on calculation setting.
 
 ```bash
-% phono3py --fc2 --dim="2 2 2" --pa="F" --mesh="11 11 11" -c POSCAR-unitcell --nac --write-phoonon
+% phono3py-load --mesh 11 11 11 --nac --write-phoonon
 ```
 
 Contents of `phonon-mxxx.hdf5` are watched by:
@@ -1248,7 +1301,7 @@ different CPU architectures. {ref}`--pa <pa_option>` and
 {ref}`--nac <nac_option>` may be required depending on calculation setting.
 
 ```bash
-% phono3py --fc2 --fc3 --dim="2 2  2" --pa="F" --mesh="11 11 11" -c POSCAR-unitcell --nac --read-phoonon --br
+% phono3py-load --mesh 11 11 11 --nac --read-phoonon --br
 ```
 
 (write_read_pp_option)=
@@ -1266,11 +1319,11 @@ calculation, in writing and reading, ph-ph interaction strength has to be stored
 in memory, so there is overhead in memory than usual RTA calculation.
 
 ```bash
-% phono3py --fc2 --fc3 --dim="2 2 2" --pa="F" --mesh="11 11 11" -c POSCAR-unitcell --nac --write-pp --br --gp=1
+% phono3py-load --mesh 11 11 11 --nac --write-pp --br --gp 1
 ```
 
 ```bash
-% phono3py --fc2 --dim="2 2 2" --pa="F" --mesh="11 11 11" -c POSCAR-unitcell --nac --read-pp --br --gp=1
+% phono3py-load --mesh 11 11 11 --nac --read-pp --br --gp 1
 ```
 
 (hdf5_compression_option)=
diff --git a/_sources/crystal.md b/_sources/crystal.md
index 6cdd00c6..cd81a815 100644
--- a/_sources/crystal.md
+++ b/_sources/crystal.md
@@ -78,10 +78,10 @@ so the -c crystal.o parameter is not needed.
 4) Calculate 3rd and 2nd order force constants in files `fc3.hdf5` and `fc2.hdf5`:
 
    ```bash
-   % phono3py --crystal --dim="2 2 2" --dim-fc2="4 4 4" --sym-fc
+   % phono3py --crystal --dim="2 2 2" --dim-fc2="4 4 4" --fc-symmetry
    ```
 
-   `--sym-fc` is used to symmetrize second- and third-order force constants.
+   `--fc-symmetry` is used to symmetrize second- and third-order force constants.
 
 5) Thermal conductivity calculation:
 
diff --git a/_sources/cutoff-pair.md b/_sources/cutoff-pair.md
index a07b1332..88ab4299 100644
--- a/_sources/cutoff-pair.md
+++ b/_sources/cutoff-pair.md
@@ -1,17 +1,14 @@
 (command_cutoff_pair)=
 
 # Force constants calculation with cutoff pair-distance
-
-Since this calculation is a little bit tricky. It may be recommended to try
+```{note}
+Since usage of this calculation is complicated. It is recommended to try
 {ref}`random-displacements` with `--fc-calc-opt "cutoff = VAL"` before trying
 this option.
+```
 
 Here the detail of the command option {ref}`--cutoff-pair <cutoff_pair_option>`
-is explained.
-
-<!-- See also reference {cite}`Mizokami-PRB-2018`. -->
-
-See also {ref}`a reference paper <cutoff_pair_reference>`.
+is explained. See also {ref}`a reference paper <cutoff_pair_reference>`.
 
 ```{contents}
 :depth: 2
@@ -329,7 +326,7 @@ number_of_pairs_in_cutoff: 110
   300.0     119.501    119.501    119.501     -0.000     -0.000      0.000
   300.0     119.483    119.483    119.483     -0.000     -0.000      0.000
   300.0     119.481    119.481    119.481     -0.000     -0.000      0.000
-% for i in {2..10};do cp phono3py_disp.$i.yaml phono3py_disp.yaml; phono3py --sym-fc --mesh="11 11 11" --br|tee std.sym-$i.out;done
+% for i in {2..10};do cp phono3py_disp.$i.yaml phono3py_disp.yaml; phono3py --fc-symmetry --mesh="11 11 11" --br|tee std.sym-$i.out;done
 % for i in {2..10};do egrep '^\s+300' std.sym-$i.out;done
   300.0     124.650    124.650    124.650     -0.000     -0.000      0.000
   300.0     119.765    119.765    119.765     -0.000     -0.000      0.000
diff --git a/_sources/index.md b/_sources/index.md
index 1e077455..0ec63523 100644
--- a/_sources/index.md
+++ b/_sources/index.md
@@ -20,28 +20,16 @@ the Wigner transport equation <LTC_options>`
 Papers that may introduce phono3py:
 
 - Theoretical background is summarized in this paper:
-  <http://dx.doi.org/10.1103/PhysRevB.91.094306> (arxiv
-  <http://arxiv.org/abs/1501.00691>).
+  [PRB.91.094306](http://dx.doi.org/10.1103/PhysRevB.91.094306) (arxiv
+  [1501.00691](http://arxiv.org/abs/1501.00691>)).
 - Introduction to phono3py application:
-  <https://journals.jps.jp/doi/10.7566/JPSJ.92.012001> (open access),
+  [JPSJ.92.012001](https://journals.jps.jp/doi/10.7566/JPSJ.92.012001) (open access),
   and phono3py inputs for 103 compounds found in Fig.17
   <https://github.com/atztogo/phonondb/blob/main/mdr/phono3py_103compounds_fd/README.md>
 - Implementation of phono3py:
-  <https://iopscience.iop.org/article/10.1088/1361-648X/acd831> (open access)
+  [JPCM.35.353001](https://iopscience.iop.org/article/10.1088/1361-648X/acd831)
+  (open access)
 
-A set of pre-calculated data for phono3py in
-
-```{image} Si-kaccum.png
-:width: 20%
-```
-
-```{image} Si-kaccum-MFP.png
-:width: 20%
-```
-
-```{image} Si-kdeplot.png
-:width: 22%
-```
 
 ## Documentation
 
diff --git a/_sources/phono3py-load.md b/_sources/phono3py-load.md
index 98501bb4..c7f16221 100644
--- a/_sources/phono3py-load.md
+++ b/_sources/phono3py-load.md
@@ -8,31 +8,42 @@ module. The main aim of introducing this command is to provide uniform usage
 over many different force calculators. Once `phono3py_disp.yaml` is created, the
 following operations will be the same using this command.
 
-The following default behaviours are different from that of those of `phono3py`
-command:
+This is used almost in the same way as `phono3py` command, e.g., but there are
+some differences. The following default behaviours are different from that of
+those of `phono3py` command:
 
 1. `phono3py_xxx.yaml` type file is always necessary in either of two ways:
 
    - `phono3py_xxx.yaml` type file is given as the first argument of the
-     command.
-   - `phono3py_xxx.yaml` type file is put in the current directory with one of
-     the default filenames of `phono3py_params.yaml`, `phono3py_disp.yaml`,
-     `phono3py.yaml`. The searching preference order is `phono3py_params.yaml` >
-     `phono3py_disp.yaml` > `phono3py.yaml`.
+     command, e.g.,
+
+     ```bash
+     % phono3py-load phono3py_xxx.yaml --br --ts 300 --mesh 50
+     ```
+
+   - With first argument unspecified, `phono3py_disp.yaml` or `phono3py.yaml`
+     file is read if it is found in the current directory. If both found,
+     `phono3py_disp.yaml` is read. For example, having `phono3py_disp.yaml`
+     under the current directory,
+
+     ```bash
+     % phono3py-load --br --ts 300 --mesh 50
+     ```
 
 2. `-c` option (read crystal structure) does not exist.
 
-3. `-d` option (create displacements) does not exist.
+3. `-d` option (create displacements) does not exist. Please use `phono3py`
+   command.
 
-4. Use of command options is recommended, but phono3py configuration file can be
-   read through `--config` option.
+4. Phono3py configuration file can be read through `--config` option. See
+   {ref}`use_config_with_option`.
 
 5. If parameters for non-analytical term correction (NAC) are found, NAC is
    automatically enabled. This can be disabled by `--nonac` option.
 
 6. When force constants are calculated from displacements and forces dataset,
    force constants are automatically symmetrized. To disable this, `--no-sym-fc`
-   option is used.
+   option can be used.
 
 7. `-o` option works differently from `phono3py` command. This option requires
    one argument of string. The string is used as the output yaml filename that
diff --git a/_sources/qe.md b/_sources/qe.md
index db34cce7..537e8eaf 100644
--- a/_sources/qe.md
+++ b/_sources/qe.md
@@ -67,10 +67,10 @@ only limited number of keywords that are shown in the phonopy web site
    `fc3.hdf5` and `fc2.hdf5` files are created by:
 
    ```bash
-   % phono3py --sym-fc
+   % phono3py --fc-symmetry
    ```
 
-   where `--sym-fc` symmetrizes fc3 and fc2.
+   where `--fc-symmetry` symmetrizes fc3 and fc2.
 
 5) Calculate lattice thermal conductivity, e.g., by:
 
diff --git a/_sources/random-displacements.md b/_sources/random-displacements.md
index 4c4b1185..865d4c20 100644
--- a/_sources/random-displacements.md
+++ b/_sources/random-displacements.md
@@ -6,7 +6,7 @@ displacement-force dataset for computing force constants. This requires an
 external force constants calculator, e.g., symfc or ALM. Here, examples are
 presented with using symfc that can be installed via pip or conda easily.
 
-## Related setting tags
+## Related command options
 
 - {ref}`random_displacements_option` (`--rd`, `--random-seed`)
 - {ref}`fc_calculator_option` (`--fc-calc`)
@@ -82,27 +82,28 @@ calculated from `FORCES_FC3` (and optionally `FORCES_FC2`) and
 `phono3py_disp.yaml` by
 
 ```bash
-% phono3py --symfc -v
+% phono3py-load --symfc -v
 ```
 
-or with `phono3py_params.yaml`
+or
 
 ```bash
-% phono3py -c phono3py_params.yaml --symfc -v
+% phono3py-load phono3py_params.yaml --symfc -v
 ```
 
-Similarly, it is performed by also using `phono3py-load` command,
+Similarly, it is performed by also using `phono3py` command,
 
 ```bash
-% phono3py-load --symfc -v
+% phono3py --symfc -v
 ```
 
-or
+or with `phono3py_params.yaml`
 
 ```bash
-% phono3py-load phono3py_params.yaml --symfc -v
+% phono3py -c phono3py_params.yaml --symfc -v
 ```
 
+
 ## Cutoff pair-distance for fc3 calculation
 
 The number of supercells required for calculating fc3 depends on crystal
@@ -113,7 +114,7 @@ introducing cutoff distance for pairs of atoms. It is performed by
 `--fc-calc-opt` option as
 
 ```bash
-% phono3py --symfc -v --fc-calc-opt "cutoff=8"
+% phono3py-load --symfc -v --fc-calc-opt "cutoff=8"
 ```
 
 The shortcut of `--fc-calc-opt "cutoff=8"` is `--cutoff-pair 8`.
diff --git a/_sources/turbomole.md b/_sources/turbomole.md
index fe2af512..d007cf78 100644
--- a/_sources/turbomole.md
+++ b/_sources/turbomole.md
@@ -69,7 +69,7 @@ so the `-c control` parameter is not needed.
 4) Calculate 3rd and 2nd order force constants in files `fc3.hdf5` and `fc2.hdf5`:
 
    ```bash
-   % phono3py --turbomole --dim="2 2 2" --dim-fc2="3 3 3" --sym-fc
+   % phono3py --turbomole --dim="2 2 2" --dim-fc2="3 3 3" --fc-symmetry
    ```
 
    `--sym-fc` is used to symmetrize second- and third-order force constants.
diff --git a/_sources/vasp.md b/_sources/vasp.md
index be653e2d..e6cd650c 100644
--- a/_sources/vasp.md
+++ b/_sources/vasp.md
@@ -61,10 +61,10 @@
 4. Create `fc2.hdf` and `fc3.hdf`
 
    ```bash
-   % phono3py --sym-fc
+   % phono3py --fc-symmetry
    ```
 
-   `--sym-fc` symmetrizes fc3 and fc2. `fc2.hdf5` and `fc3.hdf5`
+   `--fc-symmetry` symmetrizes fc3 and fc2. `fc2.hdf5` and `fc3.hdf5`
    are created from `FORCES_FC3` (and
    optionally `FORCES_FC2`) and `phono3py_disp.yaml`. This step is
    not mandatory, but you can avoid calculating fc2 and fc3 at every
diff --git a/_sources/wigner-solution.md b/_sources/wigner-solution.md
index 234aeb22..ac6b1a93 100644
--- a/_sources/wigner-solution.md
+++ b/_sources/wigner-solution.md
@@ -38,7 +38,7 @@ As discussed in the references above, the term $\kappa_{\rm P}^{\alpha \beta}$ c
 To compute the Wigner conductivity with scattering in the RTA approximation, specify `--br` and `--wigner`. For `example/Wigner_La2Zr2O7`, the command is:
 
 ```bash
-phono3py --nac --cell POSCAR --fc2 --dim="2 2 2" --dim-fc2="4 4 4" --mesh="19 19 19" --tmin=300 --tmax=1000 --tstep=700 --sym-fc --isotope --br --wigner --read-gamma > tc_La2Zr2O7.out
+phono3py --nac --cell POSCAR --fc2 --dim="2 2 2" --dim-fc2="4 4 4" --mesh="19 19 19" --tmin=300 --tmax=1000 --tstep=700 --fc-symmetry --isotope --br --wigner --read-gamma > tc_La2Zr2O7.out
 ```
 The example above uses the `--read-gamma` option to read the phonon linewidths stored in the file  `kappa-m191919.hdf5`. The calculation of these linewidths is computationally expensive, more details are reported in the {ref}`paper on the Wigner formulation <citation_wigner_formulation>`, and in this example the linewidths are provided.
 To learn how to compute the linewidths, the reader is referred to the documentation of the `--write-gamma` option.
diff --git a/_sources/workload-distribution.md b/_sources/workload-distribution.md
index 4c7a8341..6d207f01 100644
--- a/_sources/workload-distribution.md
+++ b/_sources/workload-distribution.md
@@ -28,14 +28,14 @@ To avoid re-calculating fc3 and fc2, `fc3.hdf5` and `fc2.hdf5` are
 created on a single node:
 
 ```bash
-% phono3py --dim="2 2 2" --sym-fc -c POSCAR-unitcell
+% phono3py-load
 ```
 
 The indices of the irreducible grid-points neccesarry to specify
 `--ga` option are found by {ref}`--wgp option <wgp_option>`
 
 ```bash
-% phono3py --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="19 19 19" --fc3 --fc2 --br --wgp
+% phono3py-load --mesh 19 19 19 --br --wgp
 ```
 
 and they are stored in `ir_grid_points.yaml`.
@@ -51,7 +51,7 @@ computational demands into computer nodes, a set of the grid-point
 indices are chosen and executed as follows:
 
 ```bash
-% phono3py --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="19 19 19" --fc3 --fc2 --br --gp="0,1,2,3,4,5,6,7,8,9,20,21,22,23,24,25" --write-gamma
+% phono3py-load --mesh 19 19 19 --br --gp "0,1,2,3,4,5,6,7,8,9,20,21,22,23,24,25" --write-gamma
 ```
 
 Then many `kappa-m191919-gx.hdf5` files are generated. These file
@@ -63,7 +63,7 @@ indices, the RTA thermal conductivity is computed by another run in a
 short time from the stored data:
 
 ```bash
-% phono3py --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="19 19 19" --fc3 --fc2 --br --read-gamma
+% phono3py-load --mesh 19 19 19 --br --read-gamma
 ```
 
 ## A convenient script
@@ -96,7 +96,7 @@ with open("ir_grid_points.yaml") as f:
 Supposed that this script is saved as `divide_gps.py`,
 
 ```bash
-% phono3py --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="19 19 19" --wgp
+% phono3py-load --mesh 19 19 19 --wgp
 ...
 % python divide_gps.py 20
 0,30,52,82,120,402,434,468,524,844,1206
@@ -138,5 +138,5 @@ with `job.sh` (here for grid-engine):
 #$ -e err-phono3py-num.log
 #$ -o std-phono3py-num.log
 
-phono3py --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="19 19 19" --fc3 --fc2 --br --gp="gps" --write-gamma
+phono3py-load --mesh 19 19 19 --br --gp "gps" --write-gamma
 ```
diff --git a/_static/documentation_options.js b/_static/documentation_options.js
index 526203e7..35ca4470 100644
--- a/_static/documentation_options.js
+++ b/_static/documentation_options.js
@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: '3.3.3',
+    VERSION: '3.3.4',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
diff --git a/auxiliary-tools.html b/auxiliary-tools.html
index df875c16..840f0522 100644
--- a/auxiliary-tools.html
+++ b/auxiliary-tools.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Auxiliary tools &#8212; Phono3py v.3.3.3</title>
+    <title>Auxiliary tools &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -448,7 +448,7 @@ <h2> Contents </h2>
 <h3><a class="toc-backref" href="#id4" role="doc-backlink">How to use <code class="docutils literal notranslate"><span class="pre">phono3py-kaccum</span></code></a><a class="headerlink" href="#how-to-use-phono3py-kaccum" title="Link to this heading">#</a></h3>
 <p>Let’s compute lattice thermal conductivity of Si using the <code class="docutils literal notranslate"><span class="pre">Si-PBEsol</span></code> example
 found in the example directory.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>--sym-fc<span class="w"> </span>--br
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>--fc-symmetry<span class="w"> </span>--br
 </pre></div>
 </div>
 <p>Then using the output file, <code class="docutils literal notranslate"><span class="pre">kappa-m111111.hdf5</span></code>, run <code class="docutils literal notranslate"><span class="pre">phono3py-kaccum</span></code> as
diff --git a/changelog.html b/changelog.html
index 4ca0ff20..7a7f5ac0 100644
--- a/changelog.html
+++ b/changelog.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Change Log &#8212; Phono3py v.3.3.3</title>
+    <title>Change Log &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -133,7 +133,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -324,7 +324,8 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-22-2024-version-3-3-3">Jul-22-2024: Version 3.3.3</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#aug-8-2024-version-3-3-4">Aug-8-2024: Version 3.3.4</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#aug-6-2024-version-3-3-3">Aug-6-2024: Version 3.3.3</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-22-2024-version-3-3-2">Jul-22-2024: Version 3.3.2</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-8-2024-version-3-3-1">Jul-8-2024: Version 3.3.1</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-8-2024-version-3-3-0">Jul-8-2024: Version 3.3.0</a></li>
@@ -412,8 +413,15 @@ <h2> Contents </h2>
                   
   <section class="tex2jax_ignore mathjax_ignore" id="change-log">
 <span id="changelog"></span><h1>Change Log<a class="headerlink" href="#change-log" title="Link to this heading">#</a></h1>
-<section id="jul-22-2024-version-3-3-3">
-<h2>Jul-22-2024: Version 3.3.3<a class="headerlink" href="#jul-22-2024-version-3-3-3" title="Link to this heading">#</a></h2>
+<section id="aug-8-2024-version-3-3-4">
+<h2>Aug-8-2024: Version 3.3.4<a class="headerlink" href="#aug-8-2024-version-3-3-4" title="Link to this heading">#</a></h2>
+<ul class="simple">
+<li><p>Fix of command line user interface.</p></li>
+<li><p>Fix of phono3py yaml parser.</p></li>
+</ul>
+</section>
+<section id="aug-6-2024-version-3-3-3">
+<h2>Aug-6-2024: Version 3.3.3<a class="headerlink" href="#aug-6-2024-version-3-3-3" title="Link to this heading">#</a></h2>
 <ul class="simple">
 <li><p>Provide functionality by <code class="docutils literal notranslate"><span class="pre">--cf3</span></code> and <code class="docutils literal notranslate"><span class="pre">--cf2</span></code> command options to create force
 constants from displacement-force dataset of random displacements when
@@ -1144,7 +1152,8 @@ <h2>Changes in version 0.6.0<a class="headerlink" href="#changes-in-version-0-6-
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-22-2024-version-3-3-3">Jul-22-2024: Version 3.3.3</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#aug-8-2024-version-3-3-4">Aug-8-2024: Version 3.3.4</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#aug-6-2024-version-3-3-3">Aug-6-2024: Version 3.3.3</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-22-2024-version-3-3-2">Jul-22-2024: Version 3.3.2</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-8-2024-version-3-3-1">Jul-8-2024: Version 3.3.1</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-8-2024-version-3-3-0">Jul-8-2024: Version 3.3.0</a></li>
diff --git a/citation.html b/citation.html
index cfac34ad..38b26148 100644
--- a/citation.html
+++ b/citation.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>How to cite phono3py &#8212; Phono3py v.3.3.3</title>
+    <title>How to cite phono3py &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/command-options.html b/command-options.html
index ce5f852d..5204ce8a 100644
--- a/command-options.html
+++ b/command-options.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Command options / Setting tags &#8212; Phono3py v.3.3.3</title>
+    <title>Command options / Setting tags &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -325,6 +325,7 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#use-of-configuration-file">Use of configuration file</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#input-cell-file-name">Input cell file name</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#c-cell-filename"><code class="docutils literal notranslate"><span class="pre">-c</span></code> (<code class="docutils literal notranslate"><span class="pre">CELL_FILENAME</span></code>)</a></li>
 </ul>
@@ -367,7 +368,7 @@ <h2> Contents </h2>
 </li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#force-constants">Force constants</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cfc-or-compact-fc-compact-fc-true"><code class="docutils literal notranslate"><span class="pre">--cfc</span></code> or <code class="docutils literal notranslate"><span class="pre">--compact-fc</span></code> (<code class="docutils literal notranslate"><span class="pre">COMPACT_FC</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#sym-fc-fc-symmetry-true"><code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_SYMMETRY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#fc-symmetry-fc-symmetry-true"><code class="docutils literal notranslate"><span class="pre">--fc-symmetry</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_SYMMETRY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cutoff-fc3-or-cutoff-fc3-distance-cutoff-fc3-distance"><code class="docutils literal notranslate"><span class="pre">--cutoff-fc3</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-fc3-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_FC3_DISTANCE</span></code>)</a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cutoff-pair-or-cutoff-pair-distance-cutoff-pair-distance"><code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-pair-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_PAIR_DISTANCE</span></code>)</a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#alm"><code class="docutils literal notranslate"><span class="pre">--alm</span></code></a></li>
@@ -464,6 +465,8 @@ <h2> Contents </h2>
                   
   <section class="tex2jax_ignore mathjax_ignore" id="command-options-setting-tags">
 <span id="command-options"></span><h1>Command options / Setting tags<a class="headerlink" href="#command-options-setting-tags" title="Link to this heading">#</a></h1>
+<section id="use-of-configuration-file">
+<span id="use-config-with-option"></span><h2>Use of configuration file<a class="headerlink" href="#use-of-configuration-file" title="Link to this heading">#</a></h2>
 <p>Phono3py is operated with command options or with a configuration file that
 contains setting tags. In this page, the command options are explained. Most of
 command options have their respective setting tags.</p>
@@ -484,162 +487,22 @@ <h2> Contents </h2>
 </pre></div>
 </div>
 <p>where the setting tag names are case insensitive. This is run by</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>setting.conf<span class="w"> </span><span class="o">[</span><span class="nb">command</span><span class="w"> </span>options<span class="o">]</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>setting.conf<span class="w"> </span><span class="o">[</span>OPTIONS<span class="o">]</span>
 </pre></div>
 </div>
 <p>or</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span><span class="o">[</span><span class="nb">command</span><span class="w"> </span>options<span class="o">]</span><span class="w"> </span>--<span class="w"> </span>setting.conf
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span><span class="o">[</span>OPTIONS<span class="o">]</span><span class="w"> </span>--<span class="w"> </span>setting.conf
 </pre></div>
 </div>
-<nav class="contents local" id="contents">
-<ul class="simple">
-<li><p><a class="reference internal" href="#input-cell-file-name" id="id1">Input cell file name</a></p>
-<ul>
-<li><p><a class="reference internal" href="#c-cell-filename" id="id2"><code class="docutils literal notranslate"><span class="pre">-c</span></code> (<code class="docutils literal notranslate"><span class="pre">CELL_FILENAME</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#calculator-interface" id="id3">Calculator interface</a></p>
-<ul>
-<li><p><a class="reference internal" href="#qe-calculator-qe" id="id4"><code class="docutils literal notranslate"><span class="pre">--qe</span></code> (<code class="docutils literal notranslate"><span class="pre">CALCULATOR</span> <span class="pre">=</span> <span class="pre">QE</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#crystal-calculator-crystal" id="id5"><code class="docutils literal notranslate"><span class="pre">--crystal</span></code> (<code class="docutils literal notranslate"><span class="pre">CALCULATOR</span> <span class="pre">=</span> <span class="pre">CRYSTAL</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#turbomole-calculator-turbomole" id="id6"><code class="docutils literal notranslate"><span class="pre">--turbomole</span></code> (<code class="docutils literal notranslate"><span class="pre">CALCULATOR</span> <span class="pre">=</span> <span class="pre">TURBOMOLE</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#utilities-to-create-default-input-files" id="id7">Utilities to create default input files</a></p>
-<ul>
-<li><p><a class="reference internal" href="#cf3-command-option-only" id="id8"><code class="docutils literal notranslate"><span class="pre">--cf3</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#cf3-file-command-option-only" id="id9"><code class="docutils literal notranslate"><span class="pre">--cf3-file</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#cf2-command-option-only" id="id10"><code class="docutils literal notranslate"><span class="pre">--cf2</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#cfz-command-option-only" id="id11"><code class="docutils literal notranslate"><span class="pre">--cfz</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#fs2f2-or-force-sets-to-forces-fc2-command-option-only" id="id12"><code class="docutils literal notranslate"><span class="pre">--fs2f2</span></code> or <code class="docutils literal notranslate"><span class="pre">--force-sets-to-forces-fc2</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#cfs-or-create-force-sets-command-option-only" id="id13"><code class="docutils literal notranslate"><span class="pre">--cfs</span></code> or <code class="docutils literal notranslate"><span class="pre">--create-force-sets</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#sp-or-save-params" id="id14"><code class="docutils literal notranslate"><span class="pre">--sp</span></code> or <code class="docutils literal notranslate"><span class="pre">--save-params</span></code></a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#supercell-primitive-cell-masses-magnetic-moments" id="id15">Supercell, primitive cell, masses, magnetic moments</a></p>
-<ul>
-<li><p><a class="reference internal" href="#dim-dim" id="id16"><code class="docutils literal notranslate"><span class="pre">--dim</span></code> (<code class="docutils literal notranslate"><span class="pre">DIM</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#dim-fc2-dim-fc2" id="id17"><code class="docutils literal notranslate"><span class="pre">--dim-fc2</span></code> (<code class="docutils literal notranslate"><span class="pre">DIM_FC2</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#pa-primitive-axes-primitive-axes" id="id18"><code class="docutils literal notranslate"><span class="pre">--pa</span></code>, <code class="docutils literal notranslate"><span class="pre">--primitive-axes</span></code> (<code class="docutils literal notranslate"><span class="pre">PRIMITIVE_AXES</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#mass-mass" id="id19"><code class="docutils literal notranslate"><span class="pre">--mass</span></code> (<code class="docutils literal notranslate"><span class="pre">MASS</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#magmom-magmom" id="id20"><code class="docutils literal notranslate"><span class="pre">--magmom</span></code> (<code class="docutils literal notranslate"><span class="pre">MAGMOM</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#displacement-creation" id="id21">Displacement creation</a></p>
-<ul>
-<li><p><a class="reference internal" href="#d-create-displacements-true" id="id22"><code class="docutils literal notranslate"><span class="pre">-d</span></code> (<code class="docutils literal notranslate"><span class="pre">CREATE_DISPLACEMENTS</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#rd-random-displacements-rd-fc2-random-displacements-fc2-and-random-seed-random-seed" id="id23"><code class="docutils literal notranslate"><span class="pre">--rd</span></code> (<code class="docutils literal notranslate"><span class="pre">RANDOM_DISPLACEMENTS</span></code>), <code class="docutils literal notranslate"><span class="pre">--rd-fc2</span></code> (<code class="docutils literal notranslate"><span class="pre">RANDOM_DISPLACEMENTS_FC2</span></code>) and <code class="docutils literal notranslate"><span class="pre">--random-seed</span></code> (<code class="docutils literal notranslate"><span class="pre">RANDOM_SEED</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#amplitude-displacement-distance" id="id24"><code class="docutils literal notranslate"><span class="pre">--amplitude</span></code> (<code class="docutils literal notranslate"><span class="pre">DISPLACEMENT_DISTANCE</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#fc-calc-fc-calculator-fc-calculator" id="id25"><code class="docutils literal notranslate"><span class="pre">--fc-calc</span></code>, <code class="docutils literal notranslate"><span class="pre">--fc-calculator</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_CALCULATOR</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#fc-calc-opt-fc-calculator-options-fc-calculator-options" id="id26"><code class="docutils literal notranslate"><span class="pre">--fc-calc-opt</span></code>, <code class="docutils literal notranslate"><span class="pre">--fc-calculator-options</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_CALCULATOR_OPTIONS</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#symfc-and-alm" id="id27"><code class="docutils literal notranslate"><span class="pre">--symfc</span></code> and <code class="docutils literal notranslate"><span class="pre">--alm</span></code></a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#force-constants" id="id28">Force constants</a></p>
-<ul>
-<li><p><a class="reference internal" href="#cfc-or-compact-fc-compact-fc-true" id="id29"><code class="docutils literal notranslate"><span class="pre">--cfc</span></code> or <code class="docutils literal notranslate"><span class="pre">--compact-fc</span></code> (<code class="docutils literal notranslate"><span class="pre">COMPACT_FC</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#sym-fc-fc-symmetry-true" id="id30"><code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_SYMMETRY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#cutoff-fc3-or-cutoff-fc3-distance-cutoff-fc3-distance" id="id31"><code class="docutils literal notranslate"><span class="pre">--cutoff-fc3</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-fc3-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_FC3_DISTANCE</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#cutoff-pair-or-cutoff-pair-distance-cutoff-pair-distance" id="id32"><code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-pair-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_PAIR_DISTANCE</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#alm" id="id33"><code class="docutils literal notranslate"><span class="pre">--alm</span></code></a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#reciprocal-space-sampling-mesh-and-grid-points-and-band-indices" id="id34">Reciprocal space sampling mesh and grid points, and band indices</a></p>
-<ul>
-<li><p><a class="reference internal" href="#mesh-mesh-or-mesh-numbers" id="id35"><code class="docutils literal notranslate"><span class="pre">--mesh</span></code> (<code class="docutils literal notranslate"><span class="pre">MESH</span></code> or <code class="docutils literal notranslate"><span class="pre">MESH_NUMBERS</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#gp-grid-points" id="id36"><code class="docutils literal notranslate"><span class="pre">--gp</span></code> (<code class="docutils literal notranslate"><span class="pre">GRID_POINTS</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#ga-grid-addresses" id="id37"><code class="docutils literal notranslate"><span class="pre">--ga</span></code> (<code class="docutils literal notranslate"><span class="pre">GRID_ADDRESSES</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#bi-band-indices" id="id38"><code class="docutils literal notranslate"><span class="pre">--bi</span></code> (<code class="docutils literal notranslate"><span class="pre">BAND_INDICES</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#wgp-command-option-only" id="id39"><code class="docutils literal notranslate"><span class="pre">--wgp</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#stp-command-option-only" id="id40"><code class="docutils literal notranslate"><span class="pre">--stp</span></code> (command option only)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#brillouin-zone-integration" id="id41">Brillouin zone integration</a></p>
-<ul>
-<li><p><a class="reference internal" href="#thm-tetrahedron-true" id="id42"><code class="docutils literal notranslate"><span class="pre">--thm</span></code> (<code class="docutils literal notranslate"><span class="pre">TETRAHEDRON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#sigma-sigma" id="id43"><code class="docutils literal notranslate"><span class="pre">--sigma</span></code> (<code class="docutils literal notranslate"><span class="pre">SIGMA</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#sigma-cutoff-sigma-cutoff-width" id="id44"><code class="docutils literal notranslate"><span class="pre">--sigma-cutoff</span></code> (<code class="docutils literal notranslate"><span class="pre">SIGMA_CUTOFF_WIDTH</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#full-pp-full-pp-true" id="id45"><code class="docutils literal notranslate"><span class="pre">--full-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">FULL_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#methods-to-solve-phonon-boltzmann-equation-and-wigner-formulation" id="id46">Methods to solve phonon Boltzmann equation and Wigner formulation</a></p>
-<ul>
-<li><p><a class="reference internal" href="#br-bterta-true" id="id47"><code class="docutils literal notranslate"><span class="pre">--br</span></code> (<code class="docutils literal notranslate"><span class="pre">BTERTA</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#lbte-lbte-true" id="id48"><code class="docutils literal notranslate"><span class="pre">--lbte</span></code> (<code class="docutils literal notranslate"><span class="pre">LBTE</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#wigner" id="id49"><code class="docutils literal notranslate"><span class="pre">--wigner</span></code></a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#scattering" id="id50">Scattering</a></p>
-<ul>
-<li><p><a class="reference internal" href="#isotope-isotope-true" id="id51"><code class="docutils literal notranslate"><span class="pre">--isotope</span></code> (<code class="docutils literal notranslate"><span class="pre">ISOTOPE</span> <span class="pre">=.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#mass-variances-or-mv-mass-variances" id="id52"><code class="docutils literal notranslate"><span class="pre">--mass-variances</span></code> or <code class="docutils literal notranslate"><span class="pre">--mv</span></code> (<code class="docutils literal notranslate"><span class="pre">MASS_VARIANCES</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#boundary-mfp-bmfp-boundary-mfp" id="id53"><code class="docutils literal notranslate"><span class="pre">--boundary-mfp</span></code>, <code class="docutils literal notranslate"><span class="pre">--bmfp</span></code> (<code class="docutils literal notranslate"><span class="pre">BOUNDARY_MFP</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#ave-pp-use-ave-pp-true" id="id54"><code class="docutils literal notranslate"><span class="pre">--ave-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">USE_AVE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#const-ave-pp-const-ave-pp-true" id="id55"><code class="docutils literal notranslate"><span class="pre">--const-ave-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">CONST_AVE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#nu-n-u-true" id="id56"><code class="docutils literal notranslate"><span class="pre">--nu</span></code> (<code class="docutils literal notranslate"><span class="pre">N_U</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#scattering-event-class-scattering-event-class" id="id57"><code class="docutils literal notranslate"><span class="pre">--scattering-event-class</span></code> (<code class="docutils literal notranslate"><span class="pre">SCATTERING_EVENT_CLASS</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#temperature" id="id58">Temperature</a></p>
-<ul>
-<li><p><a class="reference internal" href="#ts-temperatures-temperatures" id="id59"><code class="docutils literal notranslate"><span class="pre">--ts</span></code> (<code class="docutils literal notranslate"><span class="pre">TEMPERATURES</span></code>): Temperatures</a></p></li>
-<li><p><a class="reference internal" href="#tmax-tmin-tstep-tmax-tmin-tstep" id="id60"><code class="docutils literal notranslate"><span class="pre">--tmax</span></code>, <code class="docutils literal notranslate"><span class="pre">--tmin</span></code>, <code class="docutils literal notranslate"><span class="pre">--tstep</span></code> (<code class="docutils literal notranslate"><span class="pre">TMAX</span></code>, <code class="docutils literal notranslate"><span class="pre">TMIN</span></code>, <code class="docutils literal notranslate"><span class="pre">TSTEP</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#non-analytical-term-correction" id="id61">Non-analytical term correction</a></p>
-<ul>
-<li><p><a class="reference internal" href="#nac-nac-true" id="id62"><code class="docutils literal notranslate"><span class="pre">--nac</span></code> (<code class="docutils literal notranslate"><span class="pre">NAC</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#q-direction-q-direction" id="id63"><code class="docutils literal notranslate"><span class="pre">--q-direction</span></code> (<code class="docutils literal notranslate"><span class="pre">Q_DIRECTION</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#imaginary-and-real-parts-of-self-energy" id="id64">Imaginary and real parts of self energy</a></p>
-<ul>
-<li><p><a class="reference internal" href="#ise-imag-self-energy-true" id="id65"><code class="docutils literal notranslate"><span class="pre">--ise</span></code> (<code class="docutils literal notranslate"><span class="pre">IMAG_SELF_ENERGY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#rse-real-self-energy-true" id="id66"><code class="docutils literal notranslate"><span class="pre">--rse</span></code> (<code class="docutils literal notranslate"><span class="pre">REAL_SELF_ENERGY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#spectral-function" id="id67">Spectral function</a></p>
-<ul>
-<li><p><a class="reference internal" href="#spf-spectral-function-true" id="id68"><code class="docutils literal notranslate"><span class="pre">--spf</span></code> (<code class="docutils literal notranslate"><span class="pre">SPECTRAL_FUNCTION</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#joint-density-of-states-jdos-and-weighted-jdos" id="id69">Joint density of states (JDOS) and weighted-JDOS</a></p>
-<ul>
-<li><p><a class="reference internal" href="#jdos-joint-dos-true" id="id70"><code class="docutils literal notranslate"><span class="pre">--jdos</span></code> (<code class="docutils literal notranslate"><span class="pre">JOINT_DOS</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#sampling-frequency-for-distribution-functions" id="id71">Sampling frequency for distribution functions</a></p>
-<ul>
-<li><p><a class="reference internal" href="#num-freq-points-freq-pitch-num-frequency-points" id="id72"><code class="docutils literal notranslate"><span class="pre">--num-freq-points</span></code>, <code class="docutils literal notranslate"><span class="pre">--freq-pitch</span></code> (<code class="docutils literal notranslate"><span class="pre">NUM_FREQUENCY_POINTS</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#mode-gruneisen-parameter-from-3rd-order-force-constants" id="id73">Mode-Gruneisen parameter from 3rd order force constants</a></p>
-<ul>
-<li><p><a class="reference internal" href="#gruneisen-gruneisen-true" id="id74"><code class="docutils literal notranslate"><span class="pre">--gruneisen</span></code> (<code class="docutils literal notranslate"><span class="pre">GRUNEISEN</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#file-i-o" id="id75">File I/O</a></p>
-<ul>
-<li><p><a class="reference internal" href="#fc2-read-fc2-true" id="id76"><code class="docutils literal notranslate"><span class="pre">--fc2</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_FC2</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#fc3-read-fc3-true" id="id77"><code class="docutils literal notranslate"><span class="pre">--fc3</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_FC3</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#write-gamma-write-gamma-true" id="id78"><code class="docutils literal notranslate"><span class="pre">--write-gamma</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_GAMMA</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#read-gamma-read-gamma-true" id="id79"><code class="docutils literal notranslate"><span class="pre">--read-gamma</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_GAMMA</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#write-gamma-detail-write-gamma-detail-true" id="id80"><code class="docutils literal notranslate"><span class="pre">--write-gamma-detail</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_GAMMA_DETAIL</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#write-phonon-write-phonon-true" id="id81"><code class="docutils literal notranslate"><span class="pre">--write-phonon</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_PHONON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#read-phonon-read-phonon-true" id="id82"><code class="docutils literal notranslate"><span class="pre">--read-phonon</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PHONON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#write-pp-write-pp-true-and-read-pp-read-pp-true" id="id83"><code class="docutils literal notranslate"><span class="pre">--write-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>) and <code class="docutils literal notranslate"><span class="pre">--read-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></p></li>
-<li><p><a class="reference internal" href="#hdf5-compression-command-option-only" id="id84"><code class="docutils literal notranslate"><span class="pre">--hdf5-compression</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#o-command-option-only" id="id85"><code class="docutils literal notranslate"><span class="pre">-o</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#i-command-option-only" id="id86"><code class="docutils literal notranslate"><span class="pre">-i</span></code> (command option only)</a></p></li>
-<li><p><a class="reference internal" href="#io-command-option-only" id="id87"><code class="docutils literal notranslate"><span class="pre">--io</span></code> (command option only)</a></p></li>
-</ul>
-</li>
-</ul>
-</nav>
+<p>When using <code class="docutils literal notranslate"><span class="pre">phono3py-load</span></code> (see also <a class="reference internal" href="phono3py-load.html#phono3py-load-command"><span class="std std-ref">phono3py-load command</span></a>)</p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--config<span class="w"> </span>setting.conf<span class="w"> </span><span class="o">[</span>OPTIONS<span class="o">]</span>
+</pre></div>
+</div>
+</section>
 <section id="input-cell-file-name">
-<h2><a class="toc-backref" href="#id1" role="doc-backlink">Input cell file name</a><a class="headerlink" href="#input-cell-file-name" title="Link to this heading">#</a></h2>
+<h2>Input cell file name<a class="headerlink" href="#input-cell-file-name" title="Link to this heading">#</a></h2>
 <section id="c-cell-filename">
-<h3><a class="toc-backref" href="#id2" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">-c</span></code> (<code class="docutils literal notranslate"><span class="pre">CELL_FILENAME</span></code>)</a><a class="headerlink" href="#c-cell-filename" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">-c</span></code> (<code class="docutils literal notranslate"><span class="pre">CELL_FILENAME</span></code>)<a class="headerlink" href="#c-cell-filename" title="Link to this heading">#</a></h3>
 <p>This specifies input unit cell filename.</p>
 <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>...<span class="w"> </span><span class="o">(</span>options<span class="o">)</span>
 </pre></div>
@@ -647,26 +510,26 @@ <h3><a class="toc-backref" href="#id2" role="doc-backlink"><code class="docutils
 </section>
 </section>
 <section id="calculator-interface">
-<h2><a class="toc-backref" href="#id3" role="doc-backlink">Calculator interface</a><a class="headerlink" href="#calculator-interface" title="Link to this heading">#</a></h2>
+<h2>Calculator interface<a class="headerlink" href="#calculator-interface" title="Link to this heading">#</a></h2>
 <section id="qe-calculator-qe">
-<h3><a class="toc-backref" href="#id4" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--qe</span></code> (<code class="docutils literal notranslate"><span class="pre">CALCULATOR</span> <span class="pre">=</span> <span class="pre">QE</span></code>)</a><a class="headerlink" href="#qe-calculator-qe" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--qe</span></code> (<code class="docutils literal notranslate"><span class="pre">CALCULATOR</span> <span class="pre">=</span> <span class="pre">QE</span></code>)<a class="headerlink" href="#qe-calculator-qe" title="Link to this heading">#</a></h3>
 <p>Quantum espresso (pw) interface is invoked. See the detail at
 <a class="reference internal" href="qe.html#qe-interface"><span class="std std-ref">Quantum ESPRESSO (pw) &amp; phono3py calculation</span></a>.</p>
 </section>
 <section id="crystal-calculator-crystal">
-<h3><a class="toc-backref" href="#id5" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--crystal</span></code> (<code class="docutils literal notranslate"><span class="pre">CALCULATOR</span> <span class="pre">=</span> <span class="pre">CRYSTAL</span></code>)</a><a class="headerlink" href="#crystal-calculator-crystal" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--crystal</span></code> (<code class="docutils literal notranslate"><span class="pre">CALCULATOR</span> <span class="pre">=</span> <span class="pre">CRYSTAL</span></code>)<a class="headerlink" href="#crystal-calculator-crystal" title="Link to this heading">#</a></h3>
 <p>CRYSTAL interface is invoked. See the detail at <a class="reference internal" href="crystal.html#crystal-interface"><span class="std std-ref">CRYSTAL &amp; phono3py calculation</span></a>.</p>
 </section>
 <section id="turbomole-calculator-turbomole">
-<h3><a class="toc-backref" href="#id6" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--turbomole</span></code> (<code class="docutils literal notranslate"><span class="pre">CALCULATOR</span> <span class="pre">=</span> <span class="pre">TURBOMOLE</span></code>)</a><a class="headerlink" href="#turbomole-calculator-turbomole" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--turbomole</span></code> (<code class="docutils literal notranslate"><span class="pre">CALCULATOR</span> <span class="pre">=</span> <span class="pre">TURBOMOLE</span></code>)<a class="headerlink" href="#turbomole-calculator-turbomole" title="Link to this heading">#</a></h3>
 <p>TURBOMOLE interface is invoked. See the details at <a class="reference internal" href="turbomole.html#turbomole-interface"><span class="std std-ref">TURBOMOLE &amp; phono3py calculation</span></a>.</p>
 </section>
 </section>
 <section id="utilities-to-create-default-input-files">
-<h2><a class="toc-backref" href="#id7" role="doc-backlink">Utilities to create default input files</a><a class="headerlink" href="#utilities-to-create-default-input-files" title="Link to this heading">#</a></h2>
+<h2>Utilities to create default input files<a class="headerlink" href="#utilities-to-create-default-input-files" title="Link to this heading">#</a></h2>
 <p>These options have no respective configuration file tags.</p>
 <section id="cf3-command-option-only">
-<span id="cf3-option"></span><h3><a class="toc-backref" href="#id8" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--cf3</span></code> (command option only)</a><a class="headerlink" href="#cf3-command-option-only" title="Link to this heading">#</a></h3>
+<span id="cf3-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--cf3</span></code> (command option only)<a class="headerlink" href="#cf3-command-option-only" title="Link to this heading">#</a></h3>
 <p>This is used to create <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code> from <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> and force
 calculator outputs containing forces in supercells. <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> has to
 be located at the current directory. Calculator interface has to be specified
@@ -679,7 +542,7 @@ <h2><a class="toc-backref" href="#id7" role="doc-backlink">Utilities to create d
 </div>
 </section>
 <section id="cf3-file-command-option-only">
-<span id="cf3-file-option"></span><h3><a class="toc-backref" href="#id9" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--cf3-file</span></code> (command option only)</a><a class="headerlink" href="#cf3-file-command-option-only" title="Link to this heading">#</a></h3>
+<span id="cf3-file-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--cf3-file</span></code> (command option only)<a class="headerlink" href="#cf3-file-command-option-only" title="Link to this heading">#</a></h3>
 <p>This is used to create <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code> from a text file containing a list of
 calculator output file names. <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> has to be located at the
 current directory. Calculator interface has to be specified except for VASP
@@ -700,7 +563,7 @@ <h2><a class="toc-backref" href="#id7" role="doc-backlink">Utilities to create d
 together with <code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span></code> option.</p>
 </section>
 <section id="cf2-command-option-only">
-<span id="cf2-option"></span><h3><a class="toc-backref" href="#id10" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--cf2</span></code> (command option only)</a><a class="headerlink" href="#cf2-command-option-only" title="Link to this heading">#</a></h3>
+<span id="cf2-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--cf2</span></code> (command option only)<a class="headerlink" href="#cf2-command-option-only" title="Link to this heading">#</a></h3>
 <p>This is used to create <code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code> similarly to <code class="docutils literal notranslate"><span class="pre">--cf3</span></code> option.
 <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> has to be located at the current directory. This is
 optional. Calculator interface has to be specified except for VASP (default)
@@ -710,7 +573,7 @@ <h2><a class="toc-backref" href="#id7" role="doc-backlink">Utilities to create d
 </div>
 </section>
 <section id="cfz-command-option-only">
-<span id="cfz-option"></span><h3><a class="toc-backref" href="#id11" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--cfz</span></code> (command option only)</a><a class="headerlink" href="#cfz-command-option-only" title="Link to this heading">#</a></h3>
+<span id="cfz-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--cfz</span></code> (command option only)<a class="headerlink" href="#cfz-command-option-only" title="Link to this heading">#</a></h3>
 <p>This is used to create <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code> and <code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code> subtracting residual forces
 combined with <code class="docutils literal notranslate"><span class="pre">--cf3</span></code> and <code class="docutils literal notranslate"><span class="pre">--cf2</span></code>, respectively. Calculator interface has to be
 specified except for VASP (default) case.</p>
@@ -724,7 +587,7 @@ <h2><a class="toc-backref" href="#id7" role="doc-backlink">Utilities to create d
 </div>
 </section>
 <section id="fs2f2-or-force-sets-to-forces-fc2-command-option-only">
-<span id="fs2f2-option"></span><h3><a class="toc-backref" href="#id12" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--fs2f2</span></code> or <code class="docutils literal notranslate"><span class="pre">--force-sets-to-forces-fc2</span></code> (command option only)</a><a class="headerlink" href="#fs2f2-or-force-sets-to-forces-fc2-command-option-only" title="Link to this heading">#</a></h3>
+<span id="fs2f2-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--fs2f2</span></code> or <code class="docutils literal notranslate"><span class="pre">--force-sets-to-forces-fc2</span></code> (command option only)<a class="headerlink" href="#fs2f2-or-force-sets-to-forces-fc2-command-option-only" title="Link to this heading">#</a></h3>
 <p><code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code> is created from phonopy’s <code class="docutils literal notranslate"><span class="pre">FORCE_SETS</span></code> file. Necessary yaml lines
 for <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> is displayed as text.</p>
 <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fs2f2
@@ -732,7 +595,7 @@ <h2><a class="toc-backref" href="#id7" role="doc-backlink">Utilities to create d
 </div>
 </section>
 <section id="cfs-or-create-force-sets-command-option-only">
-<span id="cfs-option"></span><h3><a class="toc-backref" href="#id13" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--cfs</span></code> or <code class="docutils literal notranslate"><span class="pre">--create-force-sets</span></code> (command option only)</a><a class="headerlink" href="#cfs-or-create-force-sets-command-option-only" title="Link to this heading">#</a></h3>
+<span id="cfs-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--cfs</span></code> or <code class="docutils literal notranslate"><span class="pre">--create-force-sets</span></code> (command option only)<a class="headerlink" href="#cfs-or-create-force-sets-command-option-only" title="Link to this heading">#</a></h3>
 <p>Phonopy’s <code class="docutils literal notranslate"><span class="pre">FORCE_SETS</span></code> is created from <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code> and <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code>.</p>
 <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--cfs
 </pre></div>
@@ -745,7 +608,7 @@ <h2><a class="toc-backref" href="#id7" role="doc-backlink">Utilities to create d
 </div>
 </section>
 <section id="sp-or-save-params">
-<span id="sp-option"></span><h3><a class="toc-backref" href="#id14" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--sp</span></code> or <code class="docutils literal notranslate"><span class="pre">--save-params</span></code></a><a class="headerlink" href="#sp-or-save-params" title="Link to this heading">#</a></h3>
+<span id="sp-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--sp</span></code> or <code class="docutils literal notranslate"><span class="pre">--save-params</span></code><a class="headerlink" href="#sp-or-save-params" title="Link to this heading">#</a></h3>
 <p>Instead of <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code>, <code class="docutils literal notranslate"><span class="pre">phono3py_params.yaml</span></code> is generated. This option must
 be used with <code class="docutils literal notranslate"><span class="pre">--cf3</span></code>, and optionally with <code class="docutils literal notranslate"><span class="pre">--cf2</span></code>. If the force calculator
 supports reading energy of supercell, those are written into
@@ -761,16 +624,27 @@ <h2><a class="toc-backref" href="#id7" role="doc-backlink">Utilities to create d
 </section>
 </section>
 <section id="supercell-primitive-cell-masses-magnetic-moments">
-<h2><a class="toc-backref" href="#id15" role="doc-backlink">Supercell, primitive cell, masses, magnetic moments</a><a class="headerlink" href="#supercell-primitive-cell-masses-magnetic-moments" title="Link to this heading">#</a></h2>
+<h2>Supercell, primitive cell, masses, magnetic moments<a class="headerlink" href="#supercell-primitive-cell-masses-magnetic-moments" title="Link to this heading">#</a></h2>
 <section id="dim-dim">
-<span id="dim-option"></span><h3><a class="toc-backref" href="#id16" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--dim</span></code> (<code class="docutils literal notranslate"><span class="pre">DIM</span></code>)</a><a class="headerlink" href="#dim-dim" title="Link to this heading">#</a></h3>
+<span id="dim-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--dim</span></code> (<code class="docutils literal notranslate"><span class="pre">DIM</span></code>)<a class="headerlink" href="#dim-dim" title="Link to this heading">#</a></h3>
+<p><strong><code class="docutils literal notranslate"><span class="pre">phono3py-load</span></code> doesn’t have this option.</strong></p>
 <p>Supercell dimension is specified. See the detail at
-<a class="reference external" href="http://phonopy.github.io/phonopy/setting-tags.html#dim">http://phonopy.github.io/phonopy/setting-tags.html#dim</a>. When a proper
-<code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> exists in the current directory, this is unnecessary to be
-specified.</p>
+<a class="reference external" href="http://phonopy.github.io/phonopy/setting-tags.html#dim">http://phonopy.github.io/phonopy/setting-tags.html#dim</a>. When
+<code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> is found in the current directory, it is read
+automatically. Since supercell dimension is written in this file, <code class="docutils literal notranslate"><span class="pre">--dim</span></code> is
+unnecessary to specify. For example, just</p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc-symmetry
+</pre></div>
+</div>
+<p>or</p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--symfc
+</pre></div>
+</div>
+<p>can be used to calculate force constants.</p>
 </section>
 <section id="dim-fc2-dim-fc2">
-<span id="dim-fc2-option"></span><h3><a class="toc-backref" href="#id17" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--dim-fc2</span></code> (<code class="docutils literal notranslate"><span class="pre">DIM_FC2</span></code>)</a><a class="headerlink" href="#dim-fc2-dim-fc2" title="Link to this heading">#</a></h3>
+<span id="dim-fc2-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--dim-fc2</span></code> (<code class="docutils literal notranslate"><span class="pre">DIM_FC2</span></code>)<a class="headerlink" href="#dim-fc2-dim-fc2" title="Link to this heading">#</a></h3>
+<p><strong><code class="docutils literal notranslate"><span class="pre">phono3py-load</span></code> doesn’t have this option.</strong></p>
 <p>Supercell dimension for 2nd order force constants (for harmonic phonons) is
 specified. This is optional. When a proper <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> exists in the
 current directory, this is unnecessary to be specified.</p>
@@ -785,7 +659,7 @@ <h2><a class="toc-backref" href="#id15" role="doc-backlink">Supercell, primitive
 created. These are used to calculate 2nd order force constants for the larger
 supercell size and these force calculations have to be done in addition to the
 usual force calculations for 3rd order force constants.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>-d<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--dim-fc2<span class="o">=</span><span class="s2">&quot;4 4 4&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>-d<span class="w"> </span>--dim<span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">2</span><span class="w"> </span>--dim-fc2<span class="w"> </span><span class="m">4</span><span class="w"> </span><span class="m">4</span><span class="w"> </span><span class="m">4</span><span class="w"> </span>--pa<span class="w"> </span>auto<span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell
 </pre></div>
 </div>
 <p>After the force calculations, <code class="docutils literal notranslate"><span class="pre">--cf2</span></code> option is used to create <code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code>.</p>
@@ -803,43 +677,58 @@ <h2><a class="toc-backref" href="#id15" role="doc-backlink">Supercell, primitive
 </div>
 </section>
 <section id="pa-primitive-axes-primitive-axes">
-<span id="pa-option"></span><h3><a class="toc-backref" href="#id18" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--pa</span></code>, <code class="docutils literal notranslate"><span class="pre">--primitive-axes</span></code> (<code class="docutils literal notranslate"><span class="pre">PRIMITIVE_AXES</span></code>)</a><a class="headerlink" href="#pa-primitive-axes-primitive-axes" title="Link to this heading">#</a></h3>
+<span id="pa-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--pa</span></code>, <code class="docutils literal notranslate"><span class="pre">--primitive-axes</span></code> (<code class="docutils literal notranslate"><span class="pre">PRIMITIVE_AXES</span></code>)<a class="headerlink" href="#pa-primitive-axes-primitive-axes" title="Link to this heading">#</a></h3>
 <p>Transformation matrix from a non-primitive cell to the primitive cell. See
-phonopy <code class="docutils literal notranslate"><span class="pre">PRIMITIVE_AXES</span></code> tag (<code class="docutils literal notranslate"><span class="pre">--pa</span></code> option) at
-<a class="reference external" href="http://phonopy.github.io/phonopy/setting-tags.html#primitive-axis">http://phonopy.github.io/phonopy/setting-tags.html#primitive-axis</a>. When a proper
-<code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> exists in the current directory, this is unnecessary to be
-specified.</p>
+phonopy <code class="docutils literal notranslate"><span class="pre">PRIMITIVE_AXES</span></code> tag (<code class="docutils literal notranslate"><span class="pre">--pa</span></code> option) at <a class="reference external" href="https://phonopy.github.io/phonopy/setting-tags.html#primitive-axes-or-primitive-axis">primitive-axis
+(phonopy)</a>.
+When <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> contains this information and <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> is
+read when running <code class="docutils literal notranslate"><span class="pre">phono3py</span></code> or <code class="docutils literal notranslate"><span class="pre">phono3py-load</span></code> command, this is unnecessary to
+be specified.</p>
 </section>
 <section id="mass-mass">
-<h3><a class="toc-backref" href="#id19" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--mass</span></code> (<code class="docutils literal notranslate"><span class="pre">MASS</span></code>)</a><a class="headerlink" href="#mass-mass" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--mass</span></code> (<code class="docutils literal notranslate"><span class="pre">MASS</span></code>)<a class="headerlink" href="#mass-mass" title="Link to this heading">#</a></h3>
 <p>Atomic masses of <strong>primitive cell</strong> are overwritten. See more details in
 <a class="reference external" href="https://phonopy.github.io/phonopy/setting-tags.html#mass">phonopy web page</a>.</p>
 </section>
 <section id="magmom-magmom">
-<h3><a class="toc-backref" href="#id20" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--magmom</span></code> (<code class="docutils literal notranslate"><span class="pre">MAGMOM</span></code>)</a><a class="headerlink" href="#magmom-magmom" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--magmom</span></code> (<code class="docutils literal notranslate"><span class="pre">MAGMOM</span></code>)<a class="headerlink" href="#magmom-magmom" title="Link to this heading">#</a></h3>
 <p>Magnetic moments of <strong>unit cell</strong> are specified. This information is used to find crystal symmetry. See more details in <a class="reference external" href="https://phonopy.github.io/phonopy/setting-tags.html#magmom">phonopy
 web page</a>.</p>
 </section>
 </section>
 <section id="displacement-creation">
-<h2><a class="toc-backref" href="#id21" role="doc-backlink">Displacement creation</a><a class="headerlink" href="#displacement-creation" title="Link to this heading">#</a></h2>
+<h2>Displacement creation<a class="headerlink" href="#displacement-creation" title="Link to this heading">#</a></h2>
 <section id="d-create-displacements-true">
-<span id="create-displacements-option"></span><h3><a class="toc-backref" href="#id22" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">-d</span></code> (<code class="docutils literal notranslate"><span class="pre">CREATE_DISPLACEMENTS</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#d-create-displacements-true" title="Link to this heading">#</a></h3>
-<p>Supercell with displacements are created. Using with <code class="docutils literal notranslate"><span class="pre">--amplitude</span></code> option,
-atomic displacement distances are controlled. With this option, files for
-supercells with displacements and <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> file are created. <code class="docutils literal notranslate"><span class="pre">--pa</span></code>
-should be specified if the input unit cell structure is not a primitive cell,
-e.g., <code class="docutils literal notranslate"><span class="pre">--pa=&quot;F&quot;</span></code> if the input unit cell has F-centring.</p>
+<span id="create-displacements-option"></span><h3><code class="docutils literal notranslate"><span class="pre">-d</span></code> (<code class="docutils literal notranslate"><span class="pre">CREATE_DISPLACEMENTS</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#d-create-displacements-true" title="Link to this heading">#</a></h3>
+<p><strong><code class="docutils literal notranslate"><span class="pre">phono3py-load</span></code> doesn’t have this option.</strong></p>
+<p>Supercells with displacements and <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> are created. Using with
+<code class="docutils literal notranslate"><span class="pre">--amplitude</span></code> option, atomic displacement distances are controlled. With this
+option, files for supercells with displacements and <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> file
+are created.</p>
+<p>It is recommended to use this option with <code class="docutils literal notranslate"><span class="pre">--pa</span> <span class="pre">auto</span></code> option to store
+information about primitive cell (<code class="docutils literal notranslate"><span class="pre">primitive_matrix</span></code> key) in
+<code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code>, e.g.,</p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>-d<span class="w"> </span>--dim<span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">2</span><span class="w"> </span>--dim-fc2<span class="w"> </span><span class="m">4</span><span class="w"> </span><span class="m">4</span><span class="w"> </span><span class="m">4</span><span class="w"> </span>--pa<span class="w"> </span>auto
+</pre></div>
+</div>
 </section>
 <section id="rd-random-displacements-rd-fc2-random-displacements-fc2-and-random-seed-random-seed">
-<span id="random-displacements-option"></span><h3><a class="toc-backref" href="#id23" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--rd</span></code> (<code class="docutils literal notranslate"><span class="pre">RANDOM_DISPLACEMENTS</span></code>), <code class="docutils literal notranslate"><span class="pre">--rd-fc2</span></code> (<code class="docutils literal notranslate"><span class="pre">RANDOM_DISPLACEMENTS_FC2</span></code>) and <code class="docutils literal notranslate"><span class="pre">--random-seed</span></code> (<code class="docutils literal notranslate"><span class="pre">RANDOM_SEED</span></code>)</a><a class="headerlink" href="#rd-random-displacements-rd-fc2-random-displacements-fc2-and-random-seed-random-seed" title="Link to this heading">#</a></h3>
+<span id="random-displacements-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--rd</span></code> (<code class="docutils literal notranslate"><span class="pre">RANDOM_DISPLACEMENTS</span></code>), <code class="docutils literal notranslate"><span class="pre">--rd-fc2</span></code> (<code class="docutils literal notranslate"><span class="pre">RANDOM_DISPLACEMENTS_FC2</span></code>) and <code class="docutils literal notranslate"><span class="pre">--random-seed</span></code> (<code class="docutils literal notranslate"><span class="pre">RANDOM_SEED</span></code>)<a class="headerlink" href="#rd-random-displacements-rd-fc2-random-displacements-fc2-and-random-seed-random-seed" title="Link to this heading">#</a></h3>
+<p><strong><code class="docutils literal notranslate"><span class="pre">phono3py-load</span></code> doesn’t have this option.</strong></p>
+<p>See also <a class="reference internal" href="random-displacements.html#random-displacements"><span class="std std-ref">Force constants calculation with randan displacements of atoms</span></a>.</p>
 <p>Random directional displacements are generated for fc3 and fc2 supercells by
 <code class="docutils literal notranslate"><span class="pre">--rd</span></code> and <code class="docutils literal notranslate"><span class="pre">--rd-fc2</span></code>, respectively. <code class="docutils literal notranslate"><span class="pre">--amplitude</span></code> and <code class="docutils literal notranslate"><span class="pre">--random-seed</span></code> options
 may be used together. These are used in the equivalent way to <a class="reference external" href="https://phonopy.github.io/phonopy/setting-tags.html#random-displacements"><code class="docutils literal notranslate"><span class="pre">--rd</span></code> of
 phonopy</a>.</p>
+<p>Like <code class="docutils literal notranslate"><span class="pre">-d</span></code> option, it is recommended to specify <code class="docutils literal notranslate"><span class="pre">--pa</span> <span class="pre">auto</span></code> together with <code class="docutils literal notranslate"><span class="pre">--rd</span></code>
+and/or <code class="docutils literal notranslate"><span class="pre">--rd-fc2</span></code>,</p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--dim<span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">2</span><span class="w"> </span>--dim-fc2<span class="w"> </span><span class="m">4</span><span class="w"> </span><span class="m">4</span><span class="w"> </span><span class="m">4</span><span class="w"> </span>--rd<span class="w"> </span><span class="m">100</span><span class="w"> </span>--rd-fc2<span class="w"> </span><span class="m">2</span><span class="w"> </span>--pa<span class="w"> </span>auto
+</pre></div>
+</div>
 </section>
 <section id="amplitude-displacement-distance">
-<span id="amplitude-option"></span><h3><a class="toc-backref" href="#id24" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--amplitude</span></code> (<code class="docutils literal notranslate"><span class="pre">DISPLACEMENT_DISTANCE</span></code>)</a><a class="headerlink" href="#amplitude-displacement-distance" title="Link to this heading">#</a></h3>
+<span id="amplitude-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--amplitude</span></code> (<code class="docutils literal notranslate"><span class="pre">DISPLACEMENT_DISTANCE</span></code>)<a class="headerlink" href="#amplitude-displacement-distance" title="Link to this heading">#</a></h3>
+<p><strong><code class="docutils literal notranslate"><span class="pre">phono3py-load</span></code> doesn’t have this option.</strong></p>
 <p>Atomic displacement distance is specified. This value may be increased for the
 weak interaction systems and decreased when the force calculator is numerically
 very accurate.</p>
@@ -847,13 +736,13 @@ <h2><a class="toc-backref" href="#id21" role="doc-backlink">Displacement creatio
 <a class="reference internal" href="interfaces.html#default-displacement-distance-for-calculator"><span class="std std-ref">Default displacement distance created</span></a>.</p>
 </section>
 <section id="fc-calc-fc-calculator-fc-calculator">
-<span id="fc-calculator-option"></span><h3><a class="toc-backref" href="#id25" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--fc-calc</span></code>, <code class="docutils literal notranslate"><span class="pre">--fc-calculator</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_CALCULATOR</span></code>)</a><a class="headerlink" href="#fc-calc-fc-calculator-fc-calculator" title="Link to this heading">#</a></h3>
+<span id="fc-calculator-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--fc-calc</span></code>, <code class="docutils literal notranslate"><span class="pre">--fc-calculator</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_CALCULATOR</span></code>)<a class="headerlink" href="#fc-calc-fc-calculator-fc-calculator" title="Link to this heading">#</a></h3>
 <p>Choice of force constants calculator.</p>
-<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="o">%</span> <span class="n">phono3py</span> <span class="o">--</span><span class="n">fc</span><span class="o">-</span><span class="n">calc</span> <span class="n">symfc</span> <span class="o">...</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--fc-calc<span class="w"> </span>symfc<span class="w"> </span>...
 </pre></div>
 </div>
 <p>To use different force constants calculators for fc2 and fc3</p>
-<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="o">%</span> <span class="n">phono3py</span> <span class="o">--</span><span class="n">fc</span><span class="o">-</span><span class="n">calc</span> <span class="s2">&quot;symfc|&quot;</span> <span class="o">...</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--fc-calc<span class="w"> </span><span class="s2">&quot;symfc|&quot;</span><span class="w"> </span>...
 </pre></div>
 </div>
 <p>Those for fc2 and fc3 are seprated by <code class="docutils literal notranslate"><span class="pre">|</span></code> such as <code class="docutils literal notranslate"><span class="pre">symfc|</span></code> . Blank means to
@@ -861,9 +750,9 @@ <h2><a class="toc-backref" href="#id21" role="doc-backlink">Displacement creatio
 the option <code class="docutils literal notranslate"><span class="pre">-d</span></code>.</p>
 </section>
 <section id="fc-calc-opt-fc-calculator-options-fc-calculator-options">
-<span id="fc-calculator-options-option"></span><h3><a class="toc-backref" href="#id26" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--fc-calc-opt</span></code>, <code class="docutils literal notranslate"><span class="pre">--fc-calculator-options</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_CALCULATOR_OPTIONS</span></code>)</a><a class="headerlink" href="#fc-calc-opt-fc-calculator-options-fc-calculator-options" title="Link to this heading">#</a></h3>
+<span id="fc-calculator-options-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--fc-calc-opt</span></code>, <code class="docutils literal notranslate"><span class="pre">--fc-calculator-options</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_CALCULATOR_OPTIONS</span></code>)<a class="headerlink" href="#fc-calc-opt-fc-calculator-options-fc-calculator-options" title="Link to this heading">#</a></h3>
 <p>Special options for force constants calculators.</p>
-<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="o">%</span> <span class="n">phono3py</span> <span class="o">--</span><span class="n">fc</span><span class="o">-</span><span class="n">calc</span><span class="o">-</span><span class="n">opt</span> <span class="s2">&quot;cutoff=8&quot;</span> <span class="o">...</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--fc-calc-opt<span class="w"> </span><span class="s2">&quot;cutoff=8&quot;</span><span class="w"> </span>...
 </pre></div>
 </div>
 <p>Similarly to <code class="docutils literal notranslate"><span class="pre">--fc-calc</span></code>, <code class="docutils literal notranslate"><span class="pre">|</span></code> can be used to separated those for fc2 and fc3.</p>
@@ -877,14 +766,16 @@ <h4>Options for symfc<a class="headerlink" href="#options-for-symfc" title="Link
 </section>
 </section>
 <section id="symfc-and-alm">
-<h3><a class="toc-backref" href="#id27" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--symfc</span></code> and <code class="docutils literal notranslate"><span class="pre">--alm</span></code></a><a class="headerlink" href="#symfc-and-alm" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--symfc</span></code> and <code class="docutils literal notranslate"><span class="pre">--alm</span></code><a class="headerlink" href="#symfc-and-alm" title="Link to this heading">#</a></h3>
 <p>These are shortcuts of <code class="docutils literal notranslate"><span class="pre">--fc-calc</span> <span class="pre">symfc</span></code> and <code class="docutils literal notranslate"><span class="pre">--fc-calc</span> <span class="pre">alm</span></code>, respectively.</p>
+<p>Please be careful that <code class="docutils literal notranslate"><span class="pre">--symfc</span></code> and <code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code> (deprecated) are similar, but
+different.</p>
 </section>
 </section>
 <section id="force-constants">
-<h2><a class="toc-backref" href="#id28" role="doc-backlink">Force constants</a><a class="headerlink" href="#force-constants" title="Link to this heading">#</a></h2>
+<h2>Force constants<a class="headerlink" href="#force-constants" title="Link to this heading">#</a></h2>
 <section id="cfc-or-compact-fc-compact-fc-true">
-<span id="compact-fc-option"></span><h3><a class="toc-backref" href="#id29" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--cfc</span></code> or <code class="docutils literal notranslate"><span class="pre">--compact-fc</span></code> (<code class="docutils literal notranslate"><span class="pre">COMPACT_FC</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#cfc-or-compact-fc-compact-fc-true" title="Link to this heading">#</a></h3>
+<span id="compact-fc-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--cfc</span></code> or <code class="docutils literal notranslate"><span class="pre">--compact-fc</span></code> (<code class="docutils literal notranslate"><span class="pre">COMPACT_FC</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#cfc-or-compact-fc-compact-fc-true" title="Link to this heading">#</a></h3>
 <p>When creating force constants from <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code> and/or <code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code>, force
 constants that use smaller data size are created. The shape of the data array is
 <code class="docutils literal notranslate"><span class="pre">(num_patom,</span> <span class="pre">num_satom)</span></code> for fc2 and <code class="docutils literal notranslate"><span class="pre">(num_patom,</span> <span class="pre">num_satom,</span> <span class="pre">num_satom)</span></code> for
@@ -895,14 +786,14 @@ <h2><a class="toc-backref" href="#id28" role="doc-backlink">Force constants</a><
 <a class="reference internal" href="#pa-option"><span class="std std-ref">–pa</span></a> is necessary to have smallest data size. In this case,
 <code class="docutils literal notranslate"><span class="pre">--pa</span></code> option has to be specified on reading. Otherwise phono3py can recognize
 if <code class="docutils literal notranslate"><span class="pre">fc2.hdf5</span></code> and <code class="docutils literal notranslate"><span class="pre">fc3.hdf5</span></code> are compact or full automatically. When using with
-<code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code>, the calculated results will become slightly different due to
+<code class="docutils literal notranslate"><span class="pre">--fc-symmetry</span></code>, the calculated results will become slightly different due to
 imperfect symmetrization scheme that phono3py employs.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--cfc<span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--compact-fc
 </pre></div>
 </div>
 </section>
-<section id="sym-fc-fc-symmetry-true">
-<span id="symmetrization-option"></span><h3><a class="toc-backref" href="#id30" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_SYMMETRY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#sym-fc-fc-symmetry-true" title="Link to this heading">#</a></h3>
+<section id="fc-symmetry-fc-symmetry-true">
+<span id="symmetrization-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--fc-symmetry</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_SYMMETRY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#fc-symmetry-fc-symmetry-true" title="Link to this heading">#</a></h3>
 <p>Second- and third-order force constants are symmetrized. The index exchange of
 real space force constants and translational invariance symmetry are applied in a
 simple way. This symmetrization just removes drift force constants evenly from
@@ -915,7 +806,7 @@ <h2><a class="toc-backref" href="#id28" role="doc-backlink">Force constants</a><
 (<code class="docutils literal notranslate"><span class="pre">SYMMETRIZE_FC3</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>), , respectively.</p>
 </section>
 <section id="cutoff-fc3-or-cutoff-fc3-distance-cutoff-fc3-distance">
-<h3><a class="toc-backref" href="#id31" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--cutoff-fc3</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-fc3-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_FC3_DISTANCE</span></code>)</a><a class="headerlink" href="#cutoff-fc3-or-cutoff-fc3-distance-cutoff-fc3-distance" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--cutoff-fc3</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-fc3-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_FC3_DISTANCE</span></code>)<a class="headerlink" href="#cutoff-fc3-or-cutoff-fc3-distance-cutoff-fc3-distance" title="Link to this heading">#</a></h3>
 <p>This option is <strong>not</strong> used to reduce number of supercells with displacements,
 but this option is used to set zero in elements of given third-order force
 constants. The zero elements are selected by the condition that any
@@ -925,17 +816,18 @@ <h3><a class="toc-backref" href="#id31" role="doc-backlink"><code class="docutil
 supercell size and the second choice is using <code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span></code> option.</p>
 </section>
 <section id="cutoff-pair-or-cutoff-pair-distance-cutoff-pair-distance">
-<span id="cutoff-pair-option"></span><h3><a class="toc-backref" href="#id32" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-pair-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_PAIR_DISTANCE</span></code>)</a><a class="headerlink" href="#cutoff-pair-or-cutoff-pair-distance-cutoff-pair-distance" title="Link to this heading">#</a></h3>
-<p>This option works differently for the <code class="docutils literal notranslate"><span class="pre">-d</span></code> and <code class="docutils literal notranslate"><span class="pre">--rd</span></code> options.</p>
-<p>For <code class="docutils literal notranslate"><span class="pre">-d</span></code>, A cutoff pair-distance in a supercell is used to reduce the number of
-necessary supercells with displacements to obtain third order force constants.
-As the drawback, a certain number of third-order-force-constants elements are
-abandoned or computed with less numerical accuracy. More details are found at
-<a class="reference internal" href="cutoff-pair.html#command-cutoff-pair"><span class="std std-ref">Force constants calculation with cutoff pair-distance</span></a>.</p>
-<p>For <code class="docutils literal notranslate"><span class="pre">--rd</span></code>, <code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span> <span class="pre">VAL</span></code> is equivalent to <code class="docutils literal notranslate"><span class="pre">--fc-calc-opt</span> <span class="pre">&quot;cutoff=VAL&quot;</span></code>.</p>
+<span id="cutoff-pair-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-pair-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_PAIR_DISTANCE</span></code>)<a class="headerlink" href="#cutoff-pair-or-cutoff-pair-distance-cutoff-pair-distance" title="Link to this heading">#</a></h3>
+<p>This option works in two ways.</p>
+<p>When using with <code class="docutils literal notranslate"><span class="pre">-d</span></code> options, a cutoff pair-distance in a supercell is used to
+reduce the number of necessary supercells with displacements to obtain third
+order force constants. As the drawback, a certain number of
+third-order-force-constants elements are abandoned or computed with less
+numerical accuracy. More details are found at <a class="reference internal" href="cutoff-pair.html#command-cutoff-pair"><span class="std std-ref">Force constants calculation with cutoff pair-distance</span></a>.</p>
+<p>When using with an external force constants calculator, <code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span> <span class="pre">VAL</span></code> works
+equivalent to <code class="docutils literal notranslate"><span class="pre">--fc-calc-opt</span> <span class="pre">&quot;cutoff=VAL&quot;</span></code>.</p>
 </section>
 <section id="alm">
-<h3><a class="toc-backref" href="#id33" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--alm</span></code></a><a class="headerlink" href="#alm" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--alm</span></code><a class="headerlink" href="#alm" title="Link to this heading">#</a></h3>
 <p>This invokes ALM as the force constants calculator for fc2 and fc3. See the
 detail at
 <a class="reference external" href="https://phonopy.github.io/phonopy/setting-tags.html#alm">phonopy documentation</a>.
@@ -948,9 +840,9 @@ <h3><a class="toc-backref" href="#id33" role="doc-backlink"><code class="docutil
 </section>
 </section>
 <section id="reciprocal-space-sampling-mesh-and-grid-points-and-band-indices">
-<h2><a class="toc-backref" href="#id34" role="doc-backlink">Reciprocal space sampling mesh and grid points, and band indices</a><a class="headerlink" href="#reciprocal-space-sampling-mesh-and-grid-points-and-band-indices" title="Link to this heading">#</a></h2>
+<h2>Reciprocal space sampling mesh and grid points, and band indices<a class="headerlink" href="#reciprocal-space-sampling-mesh-and-grid-points-and-band-indices" title="Link to this heading">#</a></h2>
 <section id="mesh-mesh-or-mesh-numbers">
-<h3><a class="toc-backref" href="#id35" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--mesh</span></code> (<code class="docutils literal notranslate"><span class="pre">MESH</span></code> or <code class="docutils literal notranslate"><span class="pre">MESH_NUMBERS</span></code>)</a><a class="headerlink" href="#mesh-mesh-or-mesh-numbers" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--mesh</span></code> (<code class="docutils literal notranslate"><span class="pre">MESH</span></code> or <code class="docutils literal notranslate"><span class="pre">MESH_NUMBERS</span></code>)<a class="headerlink" href="#mesh-mesh-or-mesh-numbers" title="Link to this heading">#</a></h3>
 <p>Mesh sampling grids in reciprocal space are generated with the specified
 numbers. This mesh is made along reciprocal axes and is always Gamma-centered.
 Except for that this mesh is always Gamma-centered, this works in the same way
@@ -958,7 +850,7 @@ <h3><a class="toc-backref" href="#id35" role="doc-backlink"><code class="docutil
 <a class="reference external" href="https://phonopy.github.io/phonopy/setting-tags.html#mesh-mp-or-mesh-numbers">here</a>.</p>
 </section>
 <section id="gp-grid-points">
-<span id="gp-option"></span><h3><a class="toc-backref" href="#id36" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--gp</span></code> (<code class="docutils literal notranslate"><span class="pre">GRID_POINTS</span></code>)</a><a class="headerlink" href="#gp-grid-points" title="Link to this heading">#</a></h3>
+<span id="gp-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--gp</span></code> (<code class="docutils literal notranslate"><span class="pre">GRID_POINTS</span></code>)<a class="headerlink" href="#gp-grid-points" title="Link to this heading">#</a></h3>
 <p>Grid points are specified by their unique indices, e.g., for selecting the
 q-points where imaginary parts of self energies are calculated. For thermal
 conductivity calculation, this can be used to distribute its calculation over
@@ -966,31 +858,31 @@ <h3><a class="toc-backref" href="#id35" role="doc-backlink"><code class="docutil
 <p>Indices of grid points are specified by space or comma (<code class="docutils literal notranslate"><span class="pre">,</span></code>) separated numbers.
 The mapping table between grid points to its indices is obtained by running with
 <code class="docutils literal notranslate"><span class="pre">--loglevel=2</span></code> option.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--br<span class="w"> </span>--write-gamma<span class="w"> </span>--gp<span class="o">=</span><span class="s2">&quot;0 1 2 3 4 5&quot;</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span>--br<span class="w"> </span>--write-gamma<span class="w"> </span>--gp<span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">3</span><span class="w"> </span><span class="m">4</span><span class="w"> </span><span class="m">5</span>
 </pre></div>
 </div>
-<p>where <code class="docutils literal notranslate"><span class="pre">--gp=&quot;0</span> <span class="pre">1</span> <span class="pre">2</span> <span class="pre">3</span> <span class="pre">4</span> <span class="pre">5&quot;</span></code> can be also written <code class="docutils literal notranslate"><span class="pre">--gp=&quot;0,1,2,3,4,5&quot;</span></code>. <code class="docutils literal notranslate"><span class="pre">--ga</span></code>
+<p>where <code class="docutils literal notranslate"><span class="pre">--gp</span> <span class="pre">0</span> <span class="pre">1</span> <span class="pre">2</span> <span class="pre">3</span> <span class="pre">4</span> <span class="pre">5</span></code> can be also written <code class="docutils literal notranslate"><span class="pre">--gp=&quot;0,1,2,3,4,5&quot;</span></code>. <code class="docutils literal notranslate"><span class="pre">--ga</span></code>
 option below can be used similarly for the same purpose.</p>
 </section>
 <section id="ga-grid-addresses">
-<span id="ga-option"></span><h3><a class="toc-backref" href="#id37" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--ga</span></code> (<code class="docutils literal notranslate"><span class="pre">GRID_ADDRESSES</span></code>)</a><a class="headerlink" href="#ga-grid-addresses" title="Link to this heading">#</a></h3>
+<span id="ga-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--ga</span></code> (<code class="docutils literal notranslate"><span class="pre">GRID_ADDRESSES</span></code>)<a class="headerlink" href="#ga-grid-addresses" title="Link to this heading">#</a></h3>
 <p>This is used to specify grid points like <code class="docutils literal notranslate"><span class="pre">--gp</span></code> option but in their addresses
-represented by integer numbers. For example with <code class="docutils literal notranslate"><span class="pre">--mesh=&quot;16</span> <span class="pre">16</span> <span class="pre">16&quot;</span></code>, a q-point
-of (0.5, 0.5, 0.5) is given by <code class="docutils literal notranslate"><span class="pre">--ga=&quot;8</span> <span class="pre">8</span> <span class="pre">8&quot;</span></code>. The values have to be integers.
+represented by integer numbers. For example with <code class="docutils literal notranslate"><span class="pre">--mesh</span> <span class="pre">16</span> <span class="pre">16</span> <span class="pre">16</span></code>, a q-point
+of (0.5, 0.5, 0.5) is given by <code class="docutils literal notranslate"><span class="pre">--ga</span> <span class="pre">8</span> <span class="pre">8</span> <span class="pre">8</span></code>. The values have to be integers.
 If you want to specify the point on a path,
-<code class="docutils literal notranslate"><span class="pre">--ga=&quot;0</span> <span class="pre">0</span> <span class="pre">0</span> <span class="pre">1</span> <span class="pre">1</span> <span class="pre">1</span> <span class="pre">2</span> <span class="pre">2</span> <span class="pre">2</span> <span class="pre">3</span> <span class="pre">3</span> <span class="pre">3</span> <span class="pre">...&quot;</span></code>, where each three values are recognized as
+<code class="docutils literal notranslate"><span class="pre">--ga</span> <span class="pre">0</span> <span class="pre">0</span> <span class="pre">0</span> <span class="pre">1</span> <span class="pre">1</span> <span class="pre">1</span> <span class="pre">2</span> <span class="pre">2</span> <span class="pre">2</span> <span class="pre">3</span> <span class="pre">3</span> <span class="pre">3</span> <span class="pre">...</span></code>, where each three values are recognized as
 a grid point. The grid points given by <code class="docutils literal notranslate"><span class="pre">--ga</span></code> option are translated to grid
 point indices as given by <code class="docutils literal notranslate"><span class="pre">--gp</span></code> option, and the values given by <code class="docutils literal notranslate"><span class="pre">--ga</span></code> option
 will not be shown in log files.</p>
 </section>
 <section id="bi-band-indices">
-<span id="bi-option"></span><h3><a class="toc-backref" href="#id38" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--bi</span></code> (<code class="docutils literal notranslate"><span class="pre">BAND_INDICES</span></code>)</a><a class="headerlink" href="#bi-band-indices" title="Link to this heading">#</a></h3>
+<span id="bi-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--bi</span></code> (<code class="docutils literal notranslate"><span class="pre">BAND_INDICES</span></code>)<a class="headerlink" href="#bi-band-indices" title="Link to this heading">#</a></h3>
 <p>Band indices are specified. The calculated values at indices separated by space
 are averaged, and those separated by comma are separately calculated. The output
 file name will be, e.g., <code class="docutils literal notranslate"><span class="pre">gammas-mxxx-gxx(-sx)-bx.dat</span></code> where <code class="docutils literal notranslate"><span class="pre">bxbx...</span></code> shows the
 band indices where the values are calculated and summed and averaged over those
 bands.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;16 16 16&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--gp<span class="o">=</span><span class="s2">&quot;34&quot;</span><span class="w"> </span>--bi<span class="o">=</span><span class="s2">&quot;4 5, 6&quot;</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span>--nac<span class="w"> </span>--gp<span class="w"> </span><span class="m">34</span><span class="w"> </span>--bi<span class="w"> </span><span class="s2">&quot;4 5, 6&quot;</span>
 </pre></div>
 </div>
 <p>This option may be also useful to distribute the computational demand such like
@@ -998,7 +890,7 @@ <h3><a class="toc-backref" href="#id35" role="doc-backlink"><code class="docutil
 heavy.</p>
 </section>
 <section id="wgp-command-option-only">
-<span id="wgp-option"></span><h3><a class="toc-backref" href="#id39" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--wgp</span></code> (command option only)</a><a class="headerlink" href="#wgp-command-option-only" title="Link to this heading">#</a></h3>
+<span id="wgp-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--wgp</span></code> (command option only)<a class="headerlink" href="#wgp-command-option-only" title="Link to this heading">#</a></h3>
 <p>Irreducible grid point indices and related information are written into
 <code class="docutils literal notranslate"><span class="pre">ir_grid_points.yaml</span></code>. This information may be used when we want to distribute
 thermal conductivity calculation into small pieces or to find specific grid
@@ -1008,49 +900,49 @@ <h3><a class="toc-backref" href="#id35" role="doc-backlink"><code class="docutil
 and their grid addresses in integers. Q-points corresponding to grid points are
 calculated divided these integers by sampling mesh numbers for respective
 reciprocal axes.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--wgp
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span>--wgp
 </pre></div>
 </div>
 </section>
 <section id="stp-command-option-only">
-<span id="stp-option"></span><h3><a class="toc-backref" href="#id40" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--stp</span></code> (command option only)</a><a class="headerlink" href="#stp-command-option-only" title="Link to this heading">#</a></h3>
+<span id="stp-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--stp</span></code> (command option only)<a class="headerlink" href="#stp-command-option-only" title="Link to this heading">#</a></h3>
 <p>Numbers of q-point triplets to be calculated for irreducible grid points for
 specified sampling mesh numbers are shown. This can be used to estimate how
 large a calculation is. Only those for specific grid points are shown by using
 with <code class="docutils literal notranslate"><span class="pre">--gp</span></code> or <code class="docutils literal notranslate"><span class="pre">--ga</span></code> option.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--stp<span class="w"> </span>--gp<span class="w"> </span><span class="m">20</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span>--stp<span class="w"> </span>--gp<span class="w"> </span><span class="m">20</span>
 </pre></div>
 </div>
 </section>
 </section>
 <section id="brillouin-zone-integration">
-<h2><a class="toc-backref" href="#id41" role="doc-backlink">Brillouin zone integration</a><a class="headerlink" href="#brillouin-zone-integration" title="Link to this heading">#</a></h2>
+<h2>Brillouin zone integration<a class="headerlink" href="#brillouin-zone-integration" title="Link to this heading">#</a></h2>
 <section id="thm-tetrahedron-true">
-<span id="thm-option"></span><h3><a class="toc-backref" href="#id42" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--thm</span></code> (<code class="docutils literal notranslate"><span class="pre">TETRAHEDRON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#thm-tetrahedron-true" title="Link to this heading">#</a></h3>
+<span id="thm-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--thm</span></code> (<code class="docutils literal notranslate"><span class="pre">TETRAHEDRON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#thm-tetrahedron-true" title="Link to this heading">#</a></h3>
 <p>Tetrahedron method is used for calculation of imaginary part of self energy.
 This is the default option. Therefore it is not necessary to specify this unless
 both results by tetrahedron method and smearing method in one time execution are
 expected.</p>
 </section>
 <section id="sigma-sigma">
-<span id="sigma-option"></span><h3><a class="toc-backref" href="#id43" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--sigma</span></code> (<code class="docutils literal notranslate"><span class="pre">SIGMA</span></code>)</a><a class="headerlink" href="#sigma-sigma" title="Link to this heading">#</a></h3>
+<span id="sigma-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--sigma</span></code> (<code class="docutils literal notranslate"><span class="pre">SIGMA</span></code>)<a class="headerlink" href="#sigma-sigma" title="Link to this heading">#</a></h3>
 <p><span class="math notranslate nohighlight">\(\sigma\)</span> value of Gaussian function for smearing when calculating imaginary part
 of self energy. See the detail at <a class="reference internal" href="tips.html#brillouinzone-sum"><span class="std std-ref">Brillouin zone summation</span></a>.</p>
 <p>Multiple <span class="math notranslate nohighlight">\(\sigma\)</span> values are also specified by space separated numerical values.
 This is used when we want to test several <span class="math notranslate nohighlight">\(\sigma\)</span> values simultaneously.</p>
 </section>
 <section id="sigma-cutoff-sigma-cutoff-width">
-<span id="sigma-cutoff-option"></span><h3><a class="toc-backref" href="#id44" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--sigma-cutoff</span></code> (<code class="docutils literal notranslate"><span class="pre">SIGMA_CUTOFF_WIDTH</span></code>)</a><a class="headerlink" href="#sigma-cutoff-sigma-cutoff-width" title="Link to this heading">#</a></h3>
+<span id="sigma-cutoff-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--sigma-cutoff</span></code> (<code class="docutils literal notranslate"><span class="pre">SIGMA_CUTOFF_WIDTH</span></code>)<a class="headerlink" href="#sigma-cutoff-sigma-cutoff-width" title="Link to this heading">#</a></h3>
 <p>The tails of the Gaussian functions that are used to replace delta functions in
 the equation shown at <a class="reference internal" href="#full-pp-option"><span class="std std-ref">–full-pp</span></a> are cut with this
 option. The value is specified in number of standard deviation.
-<code class="docutils literal notranslate"><span class="pre">--sigma-cutoff=5</span></code> gives the Gaussian functions to be cut at <span class="math notranslate nohighlight">\(5\sigma\)</span>. Using
+<code class="docutils literal notranslate"><span class="pre">--sigma-cutoff</span> <span class="pre">5</span></code> gives the Gaussian functions to be cut at <span class="math notranslate nohighlight">\(5\sigma\)</span>. Using
 this option scarifies the numerical accuracy. So the number has to be carefully
 tested. But computation of phonon-phonon interaction strength becomes much
 faster in exchange for it.</p>
 </section>
 <section id="full-pp-full-pp-true">
-<span id="full-pp-option"></span><h3><a class="toc-backref" href="#id45" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--full-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">FULL_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#full-pp-full-pp-true" title="Link to this heading">#</a></h3>
+<span id="full-pp-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--full-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">FULL_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#full-pp-full-pp-true" title="Link to this heading">#</a></h3>
 <p>For thermal conductivity calculation using the linear tetrahedron method (from
 version 1.10.5) and smearing method with <code class="docutils literal notranslate"><span class="pre">--simga-cutoff</span></code> (from version 1.12.3),
 only necessary elements (i.e., that have non-zero delta functions) of
@@ -1075,9 +967,9 @@ <h2><a class="toc-backref" href="#id41" role="doc-backlink">Brillouin zone integ
 </section>
 </section>
 <section id="methods-to-solve-phonon-boltzmann-equation-and-wigner-formulation">
-<span id="ltc-options"></span><h2><a class="toc-backref" href="#id46" role="doc-backlink">Methods to solve phonon Boltzmann equation and Wigner formulation</a><a class="headerlink" href="#methods-to-solve-phonon-boltzmann-equation-and-wigner-formulation" title="Link to this heading">#</a></h2>
+<span id="ltc-options"></span><h2>Methods to solve phonon Boltzmann equation and Wigner formulation<a class="headerlink" href="#methods-to-solve-phonon-boltzmann-equation-and-wigner-formulation" title="Link to this heading">#</a></h2>
 <section id="br-bterta-true">
-<h3><a class="toc-backref" href="#id47" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--br</span></code> (<code class="docutils literal notranslate"><span class="pre">BTERTA</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#br-bterta-true" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--br</span></code> (<code class="docutils literal notranslate"><span class="pre">BTERTA</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#br-bterta-true" title="Link to this heading">#</a></h3>
 <p>Run calculation of lattice thermal conductivity tensor with the single mode
 relaxation time approximation (RTA) and linearized phonon Boltzmann equation.
 Without specifying <code class="docutils literal notranslate"><span class="pre">--gp</span></code> (or <code class="docutils literal notranslate"><span class="pre">--ga</span></code>) option, all necessary phonon lifetime
@@ -1090,14 +982,14 @@ <h3><a class="toc-backref" href="#id47" role="doc-backlink"><code class="docutil
 <code class="docutils literal notranslate"><span class="pre">kappa-mxxx-gx(-sx).hdf5</span></code>.</p>
 </section>
 <section id="lbte-lbte-true">
-<h3><a class="toc-backref" href="#id48" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--lbte</span></code> (<code class="docutils literal notranslate"><span class="pre">LBTE</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#lbte-lbte-true" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--lbte</span></code> (<code class="docutils literal notranslate"><span class="pre">LBTE</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#lbte-lbte-true" title="Link to this heading">#</a></h3>
 <p>Run calculation of lattice thermal conductivity tensor with a direct solution of
 linearized phonon Boltzmann equation. The basis usage of this option is
 equivalent to that of <code class="docutils literal notranslate"><span class="pre">--br</span></code>. More detail is documented at
 <a class="reference internal" href="direct-solution.html#direct-solution"><span class="std std-ref">Direct solution of linearized phonon Boltzmann equation</span></a>.</p>
 </section>
 <section id="wigner">
-<h3><a class="toc-backref" href="#id49" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--wigner</span></code></a><a class="headerlink" href="#wigner" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--wigner</span></code><a class="headerlink" href="#wigner" title="Link to this heading">#</a></h3>
 <p>Run calculation of lattice thermal conductivity tensor computing the coherences
 (wave-like) contribution to the thermal conductivity, obtained solving the
 Wigner transport equation equation. This option can be combined with <code class="docutils literal notranslate"><span class="pre">--lbte</span></code> or
@@ -1112,45 +1004,45 @@ <h3><a class="toc-backref" href="#id49" role="doc-backlink"><code class="docutil
 </section>
 </section>
 <section id="scattering">
-<h2><a class="toc-backref" href="#id50" role="doc-backlink">Scattering</a><a class="headerlink" href="#scattering" title="Link to this heading">#</a></h2>
+<h2>Scattering<a class="headerlink" href="#scattering" title="Link to this heading">#</a></h2>
 <section id="isotope-isotope-true">
-<h3><a class="toc-backref" href="#id51" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--isotope</span></code> (<code class="docutils literal notranslate"><span class="pre">ISOTOPE</span> <span class="pre">=.TRUE.</span></code>)</a><a class="headerlink" href="#isotope-isotope-true" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--isotope</span></code> (<code class="docutils literal notranslate"><span class="pre">ISOTOPE</span> <span class="pre">=.TRUE.</span></code>)<a class="headerlink" href="#isotope-isotope-true" title="Link to this heading">#</a></h3>
 <p>Phonon-isotope scattering is calculated based on the formula by Shin-ichiro
 Tamura, Phys. Rev. B, <strong>27</strong>, 858 (1983). Mass variance parameters are read from
 database of the natural abundance data for elements, which refers Laeter <em>et
 al.</em>, Pure Appl. Chem., <strong>75</strong>, 683 (2003).</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;3 3 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;32 32 20&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--br<span class="w"> </span>--isotope
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">20</span><span class="w"> </span>--br<span class="w"> </span>--isotope
 </pre></div>
 </div>
 </section>
 <section id="mass-variances-or-mv-mass-variances">
-<h3><a class="toc-backref" href="#id52" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--mass-variances</span></code> or <code class="docutils literal notranslate"><span class="pre">--mv</span></code> (<code class="docutils literal notranslate"><span class="pre">MASS_VARIANCES</span></code>)</a><a class="headerlink" href="#mass-variances-or-mv-mass-variances" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--mass-variances</span></code> or <code class="docutils literal notranslate"><span class="pre">--mv</span></code> (<code class="docutils literal notranslate"><span class="pre">MASS_VARIANCES</span></code>)<a class="headerlink" href="#mass-variances-or-mv-mass-variances" title="Link to this heading">#</a></h3>
 <p>Mass variance parameters are specified by this option to include phonon-isotope
 scattering effect in the same way as <code class="docutils literal notranslate"><span class="pre">--isotope</span></code> option. For example of GaN,
-this may be set like <code class="docutils literal notranslate"><span class="pre">--mv=&quot;1.97e-4</span> <span class="pre">1.97e-4</span> <span class="pre">0</span> <span class="pre">0&quot;</span></code>. The number of elements has to
+this may be set like <code class="docutils literal notranslate"><span class="pre">--mv</span> <span class="pre">1.97e-4</span> <span class="pre">1.97e-4</span> <span class="pre">0</span> <span class="pre">0</span></code>. The number of elements has to
 correspond to the number of atoms in the primitive cell.</p>
 <p>Isotope effect to thermal conductivity may be checked first running without
 isotope calculation:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;3 3 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;32 32 20&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--br
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">20</span><span class="w"> </span>--br
 </pre></div>
 </div>
 <p>Then running with isotope calculation:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;3 3 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;32 32 20&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--br<span class="w"> </span>--read-gamma<span class="w"> </span>--mv<span class="o">=</span><span class="s2">&quot;1.97e-4 1.97e-4 0 0&quot;</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">20</span><span class="w"> </span>--br<span class="w"> </span>--read-gamma<span class="w"> </span>--mv<span class="w"> </span><span class="m">1</span>.97e-4<span class="w"> </span><span class="m">1</span>.97e-4<span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">0</span>
 </pre></div>
 </div>
 <p>In the result hdf5 file, currently isotope scattering strength is not written
 out, i.e., <code class="docutils literal notranslate"><span class="pre">gamma</span></code> is still imaginary part of self energy of ph-ph scattering.</p>
 </section>
 <section id="boundary-mfp-bmfp-boundary-mfp">
-<span id="boundary-mfp-option"></span><h3><a class="toc-backref" href="#id53" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--boundary-mfp</span></code>, <code class="docutils literal notranslate"><span class="pre">--bmfp</span></code> (<code class="docutils literal notranslate"><span class="pre">BOUNDARY_MFP</span></code>)</a><a class="headerlink" href="#boundary-mfp-bmfp-boundary-mfp" title="Link to this heading">#</a></h3>
+<span id="boundary-mfp-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--boundary-mfp</span></code>, <code class="docutils literal notranslate"><span class="pre">--bmfp</span></code> (<code class="docutils literal notranslate"><span class="pre">BOUNDARY_MFP</span></code>)<a class="headerlink" href="#boundary-mfp-bmfp-boundary-mfp" title="Link to this heading">#</a></h3>
 <p>A most simple phonon boundary scattering treatment is included. <span class="math notranslate nohighlight">\(v_g/L\)</span> is just
 used as the scattering rate, where <span class="math notranslate nohighlight">\(v_g\)</span> is the group velocity and <span class="math notranslate nohighlight">\(L\)</span> is the
 boundary mean free path. The value is given in micrometre. The default value, 1
 metre, is just used to avoid divergence of phonon lifetime and the contribution
-to the thermal conducitivity is considered negligible.</p>
+to the thermal conductivity is considered negligible.</p>
 </section>
 <section id="ave-pp-use-ave-pp-true">
-<span id="ave-pp-option"></span><h3><a class="toc-backref" href="#id54" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--ave-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">USE_AVE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#ave-pp-use-ave-pp-true" title="Link to this heading">#</a></h3>
+<span id="ave-pp-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--ave-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">USE_AVE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#ave-pp-use-ave-pp-true" title="Link to this heading">#</a></h3>
 <p>Averaged phonon-phonon interaction strength (<span class="math notranslate nohighlight">\(P_{\mathbf{q}j}=P_\lambda\)</span>) is
 used to calculate imaginary part of self energy in thermal conductivity
 calculation. <span class="math notranslate nohighlight">\(P_\lambda\)</span> is defined as</p>
@@ -1180,16 +1072,16 @@ <h3><a class="toc-backref" href="#id52" role="doc-backlink"><code class="docutil
 <code class="docutils literal notranslate"><span class="pre">kappa-mxxx(-sx-sdx).hdf5</span></code> file. Therefore to use this option together with <code class="docutils literal notranslate"><span class="pre">-o</span></code>
 option is strongly recommended.</p>
 <p>First, run full conductivity calculation,</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;3 3 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;32 32 20&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--br
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">20</span><span class="w"> </span>--br
 </pre></div>
 </div>
 <p>Then</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;3 3 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;32 32 20&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--br<span class="w"> </span>--read-gamma<span class="w"> </span>--ave-pp<span class="w"> </span>-o<span class="w"> </span>ave_pp
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">20</span><span class="w"> </span>--br<span class="w"> </span>--read-gamma<span class="w"> </span>--ave-pp<span class="w"> </span>-o<span class="w"> </span>ave_pp
 </pre></div>
 </div>
 </section>
 <section id="const-ave-pp-const-ave-pp-true">
-<h3><a class="toc-backref" href="#id55" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--const-ave-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">CONST_AVE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#const-ave-pp-const-ave-pp-true" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--const-ave-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">CONST_AVE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#const-ave-pp-const-ave-pp-true" title="Link to this heading">#</a></h3>
 <p>Averaged phonon-phonon interaction (<span class="math notranslate nohighlight">\(P_{\mathbf{q}j}\)</span>) is replaced by this
 constant value and <span class="math notranslate nohighlight">\(|\Phi_{\lambda \lambda'
 \lambda''}|^2\)</span> are set as written in
@@ -1199,12 +1091,12 @@ <h3><a class="toc-backref" href="#id55" role="doc-backlink"><code class="docutil
 <span class="math notranslate nohighlight">\(\text{eV}^2\)</span>.</p>
 <!-- See also references {cite}`Togo-PRB-2015,Mizokami-PRB-2018`. -->
 <p>See also <a class="reference internal" href="reference.html#ave-pp-reference"><span class="std std-ref">reference papers</span></a>.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;3 3 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;32 32 20&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--br<span class="w"> </span>--const-ave-pp<span class="o">=</span>1e-10
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">20</span><span class="w"> </span>--br<span class="w"> </span>--const-ave-pp<span class="w"> </span>1e-10
 </pre></div>
 </div>
 </section>
 <section id="nu-n-u-true">
-<span id="normal-umklapp-option"></span><h3><a class="toc-backref" href="#id56" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--nu</span></code> (<code class="docutils literal notranslate"><span class="pre">N_U</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#nu-n-u-true" title="Link to this heading">#</a></h3>
+<span id="normal-umklapp-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--nu</span></code> (<code class="docutils literal notranslate"><span class="pre">N_U</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#nu-n-u-true" title="Link to this heading">#</a></h3>
 <p>Integration over q-point triplets for the calculation of
 <span class="math notranslate nohighlight">\(\Gamma_\lambda(\omega_\lambda)\)</span> is made separately for normal
 <span class="math notranslate nohighlight">\(\Gamma^\text{N}_\lambda(\omega_\lambda)\)</span> and Umklapp
@@ -1219,7 +1111,7 @@ <h3><a class="toc-backref" href="#id55" role="doc-backlink"><code class="docutil
 <code class="docutils literal notranslate"><span class="pre">gamma_N</span></code> and <code class="docutils literal notranslate"><span class="pre">gamma_U</span></code> keys. The shape of the arrays is the same as that of
 <code class="docutils literal notranslate"><span class="pre">gamma</span></code> (see <a class="reference internal" href="hdf5_howto.html#kappa-hdf5-file-gamma"><span class="std std-ref">gamma</span></a>). An example (Si-PBEsol) is shown
 below:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--br<span class="w"> </span>--nu
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--br<span class="w"> </span>--nu
 ...
 %<span class="w"> </span>ipython
 
@@ -1256,7 +1148,7 @@ <h3><a class="toc-backref" href="#id55" role="doc-backlink"><code class="docutil
 </div>
 </section>
 <section id="scattering-event-class-scattering-event-class">
-<h3><a class="toc-backref" href="#id57" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--scattering-event-class</span></code> (<code class="docutils literal notranslate"><span class="pre">SCATTERING_EVENT_CLASS</span></code>)</a><a class="headerlink" href="#scattering-event-class-scattering-event-class" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--scattering-event-class</span></code> (<code class="docutils literal notranslate"><span class="pre">SCATTERING_EVENT_CLASS</span></code>)<a class="headerlink" href="#scattering-event-class-scattering-event-class" title="Link to this heading">#</a></h3>
 <p>Scattering event class of imaginary part of self energy is specified by <code class="docutils literal notranslate"><span class="pre">1</span></code> or
 <code class="docutils literal notranslate"><span class="pre">2</span></code>. This only works with <a class="reference internal" href="#ise-option"><span class="std std-ref">--ise (IMAG_SELF_ENERGY = .TRUE.)</span></a> option. The classes 1 and 2 are
 given by</p>
@@ -1292,42 +1184,42 @@ <h3><a class="toc-backref" href="#id57" role="doc-backlink"><code class="docutil
 </section>
 </section>
 <section id="temperature">
-<h2><a class="toc-backref" href="#id58" role="doc-backlink">Temperature</a><a class="headerlink" href="#temperature" title="Link to this heading">#</a></h2>
+<h2>Temperature<a class="headerlink" href="#temperature" title="Link to this heading">#</a></h2>
 <section id="ts-temperatures-temperatures">
-<span id="ts-option"></span><h3><a class="toc-backref" href="#id59" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--ts</span></code> (<code class="docutils literal notranslate"><span class="pre">TEMPERATURES</span></code>): Temperatures</a><a class="headerlink" href="#ts-temperatures-temperatures" title="Link to this heading">#</a></h3>
+<span id="ts-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--ts</span></code> (<code class="docutils literal notranslate"><span class="pre">TEMPERATURES</span></code>): Temperatures<a class="headerlink" href="#ts-temperatures-temperatures" title="Link to this heading">#</a></h3>
 <p>Specific temperatures are specified by <code class="docutils literal notranslate"><span class="pre">--ts</span></code>.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--br<span class="w"> </span>--ts<span class="o">=</span><span class="s2">&quot;200 300 400&quot;</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--br<span class="w"> </span>--ts<span class="w"> </span><span class="m">200</span><span class="w"> </span><span class="m">300</span><span class="w"> </span><span class="m">400</span>
 </pre></div>
 </div>
 </section>
 <section id="tmax-tmin-tstep-tmax-tmin-tstep">
-<h3><a class="toc-backref" href="#id60" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--tmax</span></code>, <code class="docutils literal notranslate"><span class="pre">--tmin</span></code>, <code class="docutils literal notranslate"><span class="pre">--tstep</span></code> (<code class="docutils literal notranslate"><span class="pre">TMAX</span></code>, <code class="docutils literal notranslate"><span class="pre">TMIN</span></code>, <code class="docutils literal notranslate"><span class="pre">TSTEP</span></code>)</a><a class="headerlink" href="#tmax-tmin-tstep-tmax-tmin-tstep" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--tmax</span></code>, <code class="docutils literal notranslate"><span class="pre">--tmin</span></code>, <code class="docutils literal notranslate"><span class="pre">--tstep</span></code> (<code class="docutils literal notranslate"><span class="pre">TMAX</span></code>, <code class="docutils literal notranslate"><span class="pre">TMIN</span></code>, <code class="docutils literal notranslate"><span class="pre">TSTEP</span></code>)<a class="headerlink" href="#tmax-tmin-tstep-tmax-tmin-tstep" title="Link to this heading">#</a></h3>
 <p>Temperatures at equal interval are specified by <code class="docutils literal notranslate"><span class="pre">--tmax</span></code>, <code class="docutils literal notranslate"><span class="pre">--tmin</span></code>, <code class="docutils literal notranslate"><span class="pre">--tstep</span></code>.
 See phonopy’s document for the same tags at
 <a class="reference external" href="http://phonopy.github.io/phonopy/setting-tags.html#tprop-tmin-tmax-tstep">http://phonopy.github.io/phonopy/setting-tags.html#tprop-tmin-tmax-tstep</a>.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--br<span class="w"> </span>--tmin<span class="o">=</span><span class="m">100</span><span class="w"> </span>--tmax<span class="o">=</span><span class="m">1000</span><span class="w"> </span>--tstep<span class="o">=</span><span class="m">50</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span>--br<span class="w"> </span>--tmin<span class="w"> </span><span class="m">100</span><span class="w"> </span>--tmax<span class="w"> </span><span class="m">1000</span><span class="w"> </span>--tstep<span class="w"> </span><span class="m">50</span>
 </pre></div>
 </div>
 </section>
 </section>
 <section id="non-analytical-term-correction">
-<h2><a class="toc-backref" href="#id61" role="doc-backlink">Non-analytical term correction</a><a class="headerlink" href="#non-analytical-term-correction" title="Link to this heading">#</a></h2>
+<h2>Non-analytical term correction<a class="headerlink" href="#non-analytical-term-correction" title="Link to this heading">#</a></h2>
 <section id="nac-nac-true">
-<span id="nac-option"></span><h3><a class="toc-backref" href="#id62" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--nac</span></code> (<code class="docutils literal notranslate"><span class="pre">NAC</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#nac-nac-true" title="Link to this heading">#</a></h3>
+<span id="nac-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--nac</span></code> (<code class="docutils literal notranslate"><span class="pre">NAC</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#nac-nac-true" title="Link to this heading">#</a></h3>
 <p>Non-analytical term correction for harmonic phonons. Like as phonopy, <code class="docutils literal notranslate"><span class="pre">BORN</span></code>
 file has to be put on the same directory. Always the default value of unit
 conversion factor is used even if it is written in the first line of <code class="docutils literal notranslate"><span class="pre">BORN</span></code>
 file.</p>
 </section>
 <section id="q-direction-q-direction">
-<h3><a class="toc-backref" href="#id63" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--q-direction</span></code> (<code class="docutils literal notranslate"><span class="pre">Q_DIRECTION</span></code>)</a><a class="headerlink" href="#q-direction-q-direction" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--q-direction</span></code> (<code class="docutils literal notranslate"><span class="pre">Q_DIRECTION</span></code>)<a class="headerlink" href="#q-direction-q-direction" title="Link to this heading">#</a></h3>
 <p>This is used with <code class="docutils literal notranslate"><span class="pre">--nac</span></code> to specify reciprocal-space direction at
 <span class="math notranslate nohighlight">\(\mathbf{q}\rightarrow \mathbf{0}\)</span>. See the detail at
 <a class="reference external" href="http://phonopy.github.io/phonopy/setting-tags.html#q-direction">http://phonopy.github.io/phonopy/setting-tags.html#q-direction</a>.</p>
 </section>
 </section>
 <section id="imaginary-and-real-parts-of-self-energy">
-<span id="self-energy-options"></span><h2><a class="toc-backref" href="#id64" role="doc-backlink">Imaginary and real parts of self energy</a><a class="headerlink" href="#imaginary-and-real-parts-of-self-energy" title="Link to this heading">#</a></h2>
+<span id="self-energy-options"></span><h2>Imaginary and real parts of self energy<a class="headerlink" href="#imaginary-and-real-parts-of-self-energy" title="Link to this heading">#</a></h2>
 <p>Phonon self-energy of bubble diagram is written as,</p>
 <div class="math notranslate nohighlight">
 \[
@@ -1377,18 +1269,18 @@ <h3><a class="toc-backref" href="#id63" role="doc-backlink"><code class="docutil
 <span class="math notranslate nohighlight">\(2\pi\)</span> treatment.</p>
 <p>See also <a class="reference internal" href="reference.html#spectral-function-reference"><span class="std std-ref">reference papers</span></a>.</p>
 <section id="ise-imag-self-energy-true">
-<span id="ise-option"></span><h3><a class="toc-backref" href="#id65" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--ise</span></code> (<code class="docutils literal notranslate"><span class="pre">IMAG_SELF_ENERGY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#ise-imag-self-energy-true" title="Link to this heading">#</a></h3>
+<span id="ise-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--ise</span></code> (<code class="docutils literal notranslate"><span class="pre">IMAG_SELF_ENERGY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#ise-imag-self-energy-true" title="Link to this heading">#</a></h3>
 <p>Imaginary part of self energy <span class="math notranslate nohighlight">\(\Gamma_\lambda(\omega)\)</span> is calculated with
 respect to frequency <span class="math notranslate nohighlight">\(\omega\)</span>, where <span class="math notranslate nohighlight">\(\omega\)</span> is sampled following
 <a class="reference internal" href="#freq-sampling-option"><span class="std std-ref">--num-freq-points, --freq-pitch (NUM_FREQUENCY_POINTS)</span></a>. The output of <span class="math notranslate nohighlight">\(\Gamma_\lambda(\omega)\)</span> is written
 to <code class="docutils literal notranslate"><span class="pre">gammas-mxxx-gx(-sx)-tx-bx.dat</span></code> in THz (without <span class="math notranslate nohighlight">\(2\pi\)</span>) with respect to
 samplied frequency points of <span class="math notranslate nohighlight">\(\omega\)</span> in THz (without <span class="math notranslate nohighlight">\(2\pi\)</span>).</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;16 16 16&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--q-direction<span class="o">=</span><span class="s2">&quot;1 0 0&quot;</span><span class="w"> </span>--gp<span class="o">=</span><span class="m">0</span><span class="w"> </span>--ise<span class="w"> </span>--bi<span class="o">=</span><span class="s2">&quot;4 5, 6&quot;</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span>--nac<span class="w"> </span>--q-direction<span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">0</span><span class="w"> </span>--gp<span class="w"> </span><span class="m">0</span><span class="w"> </span>--ise<span class="w"> </span>--bi<span class="w"> </span><span class="s2">&quot;4 5, 6&quot;</span>
 </pre></div>
 </div>
 </section>
 <section id="rse-real-self-energy-true">
-<span id="rse-option"></span><h3><a class="toc-backref" href="#id66" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--rse</span></code> (<code class="docutils literal notranslate"><span class="pre">REAL_SELF_ENERGY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#rse-real-self-energy-true" title="Link to this heading">#</a></h3>
+<span id="rse-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--rse</span></code> (<code class="docutils literal notranslate"><span class="pre">REAL_SELF_ENERGY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#rse-real-self-energy-true" title="Link to this heading">#</a></h3>
 <p>Real part of self energy <span class="math notranslate nohighlight">\(\Delta_\lambda(\omega)\)</span> is calculated with respect to
 frequency <span class="math notranslate nohighlight">\(\omega\)</span>, where <span class="math notranslate nohighlight">\(\omega\)</span> is sampled following
 <a class="reference internal" href="#freq-sampling-option"><span class="std std-ref">--num-freq-points, --freq-pitch (NUM_FREQUENCY_POINTS)</span></a>. With this option, only smearing approach is
@@ -1406,13 +1298,13 @@ <h3><a class="toc-backref" href="#id63" role="doc-backlink"><code class="docutil
 <span class="math notranslate nohighlight">\(\Delta_\lambda(\omega)\)</span> is written to <code class="docutils literal notranslate"><span class="pre">deltas-mxxx-gx-sx-tx-bx.dat</span></code> in THz
 (without <span class="math notranslate nohighlight">\(2\pi\)</span>) with respect to samplied frequency points of <span class="math notranslate nohighlight">\(\omega\)</span> in THz
 (without <span class="math notranslate nohighlight">\(2\pi\)</span>).</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;16 16 16&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--q-direction<span class="o">=</span><span class="s2">&quot;1 0 0&quot;</span><span class="w"> </span>--gp<span class="o">=</span><span class="m">0</span><span class="w"> </span>--rse<span class="w"> </span>--sigma<span class="o">=</span><span class="s2">&quot;0.1&quot;</span><span class="w"> </span>--bi<span class="o">=</span><span class="s2">&quot;4 5, 6&quot;</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span>--nac<span class="w"> </span>--q-direction<span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">0</span><span class="w"> </span>--gp<span class="w"> </span><span class="m">0</span><span class="w"> </span>--rse<span class="w"> </span>--sigma<span class="w"> </span><span class="m">0</span>.1<span class="w"> </span>--bi<span class="w"> </span><span class="s2">&quot;4 5, 6&quot;</span>
 </pre></div>
 </div>
 </section>
 </section>
 <section id="spectral-function">
-<span id="spectral-function-option"></span><h2><a class="toc-backref" href="#id67" role="doc-backlink">Spectral function</a><a class="headerlink" href="#spectral-function" title="Link to this heading">#</a></h2>
+<span id="spectral-function-option"></span><h2>Spectral function<a class="headerlink" href="#spectral-function" title="Link to this heading">#</a></h2>
 <p>Phonon spectral function of bubble diagram is written as</p>
 <div class="math notranslate nohighlight">
 \[
@@ -1430,7 +1322,7 @@ <h3><a class="toc-backref" href="#id63" role="doc-backlink"><code class="docutil
 \]</div>
 <p>See also <a class="reference internal" href="reference.html#spectral-function-reference"><span class="std std-ref">reference papers</span></a>.</p>
 <section id="spf-spectral-function-true">
-<h3><a class="toc-backref" href="#id68" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--spf</span></code> (<code class="docutils literal notranslate"><span class="pre">SPECTRAL_FUNCTION</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#spf-spectral-function-true" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--spf</span></code> (<code class="docutils literal notranslate"><span class="pre">SPECTRAL_FUNCTION</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#spf-spectral-function-true" title="Link to this heading">#</a></h3>
 <p>Spectral function of self energy <span class="math notranslate nohighlight">\(A_\lambda(\omega)\)</span> is calculated with respect
 to frequency <span class="math notranslate nohighlight">\(\omega\)</span>, where <span class="math notranslate nohighlight">\(\omega\)</span> is sampled following
 <a class="reference internal" href="#freq-sampling-option"><span class="std std-ref">--num-freq-points, --freq-pitch (NUM_FREQUENCY_POINTS)</span></a>. First, imaginary part of self-energy is calculated
@@ -1438,7 +1330,7 @@ <h3><a class="toc-backref" href="#id68" role="doc-backlink"><code class="docutil
 output of <span class="math notranslate nohighlight">\(A_\lambda(\omega)\)</span> is written to <code class="docutils literal notranslate"><span class="pre">spectral-mxxx-gx(-sx)-tx-bx.dat</span></code> in
 THz (without <span class="math notranslate nohighlight">\(2\pi\)</span>) with respect to samplied frequency points of <span class="math notranslate nohighlight">\(\omega\)</span> in
 THz (without <span class="math notranslate nohighlight">\(2\pi\)</span>), and <code class="docutils literal notranslate"><span class="pre">spectral-mxxx-gx.hdf5</span></code>.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;16 16 16&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--q-direction<span class="o">=</span><span class="s2">&quot;1 0 0&quot;</span><span class="w"> </span>--gp<span class="o">=</span><span class="m">0</span><span class="w"> </span>--spf
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span>--nac<span class="w"> </span>--q-direction<span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">0</span><span class="w"> </span>--gp<span class="w"> </span><span class="m">0</span><span class="w"> </span>--spf
 </pre></div>
 </div>
 <div class="admonition note">
@@ -1455,9 +1347,9 @@ <h3><a class="toc-backref" href="#id68" role="doc-backlink"><code class="docutil
 </section>
 </section>
 <section id="joint-density-of-states-jdos-and-weighted-jdos">
-<span id="jdos-option"></span><h2><a class="toc-backref" href="#id69" role="doc-backlink">Joint density of states (JDOS) and weighted-JDOS</a><a class="headerlink" href="#joint-density-of-states-jdos-and-weighted-jdos" title="Link to this heading">#</a></h2>
+<span id="jdos-option"></span><h2>Joint density of states (JDOS) and weighted-JDOS<a class="headerlink" href="#joint-density-of-states-jdos-and-weighted-jdos" title="Link to this heading">#</a></h2>
 <section id="jdos-joint-dos-true">
-<h3><a class="toc-backref" href="#id70" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--jdos</span></code> (<code class="docutils literal notranslate"><span class="pre">JOINT_DOS</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#jdos-joint-dos-true" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--jdos</span></code> (<code class="docutils literal notranslate"><span class="pre">JOINT_DOS</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#jdos-joint-dos-true" title="Link to this heading">#</a></h3>
 <p>Two classes of joint density of states (JDOS) are calculated. The result is
 written into <code class="docutils literal notranslate"><span class="pre">jdos-mxxx-gx(-sx-sdx).dat</span></code> in <span class="math notranslate nohighlight">\(\text{THz}^{-1}\)</span> (without
 <span class="math notranslate nohighlight">\((2\pi)^{-1}\)</span>) with respect to frequency in THz (without <span class="math notranslate nohighlight">\(2\pi\)</span>). Frequency
@@ -1478,7 +1370,7 @@ <h3><a class="toc-backref" href="#id70" role="doc-backlink"><code class="docutil
 \end{align}
 \end{split}\]</div>
 <p>See also <a class="reference internal" href="reference.html#spectral-function-reference"><span class="std std-ref">reference papers</span></a>.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;16 16 16&quot;</span><span class="w"> </span>--jdos<span class="w"> </span>--ga<span class="o">=</span><span class="s2">&quot;0 0 0  8 8 8&quot;</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span>--jdos<span class="w"> </span>--ga<span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">8</span><span class="w"> </span><span class="m">8</span><span class="w"> </span><span class="m">8</span>
 </pre></div>
 </div>
 <p>When temperatures are specified, two classes of weighted JDOS are calculated.
@@ -1501,7 +1393,7 @@ <h3><a class="toc-backref" href="#id70" role="doc-backlink"><code class="docutil
 \end{align}
 \end{split}\]</div>
 <p>See also <a class="reference internal" href="reference.html#spectral-function-reference"><span class="std std-ref">reference papers</span></a>.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;16 16 16&quot;</span><span class="w"> </span>--jdos<span class="w"> </span>--ga<span class="o">=</span><span class="s2">&quot;0 0 0  8 8 8&quot;</span><span class="w"> </span>--ts<span class="o">=</span><span class="m">300</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span>--jdos<span class="w"> </span>--ga<span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="m">8</span><span class="w"> </span><span class="m">8</span><span class="w"> </span><span class="m">8</span><span class="w"> </span>--ts<span class="w"> </span><span class="m">300</span>
 </pre></div>
 </div>
 <p>This is an example of <code class="docutils literal notranslate"><span class="pre">Si-PBEsol</span></code>.</p>
@@ -1510,9 +1402,9 @@ <h3><a class="toc-backref" href="#id70" role="doc-backlink"><code class="docutil
 </section>
 </section>
 <section id="sampling-frequency-for-distribution-functions">
-<h2><a class="toc-backref" href="#id71" role="doc-backlink">Sampling frequency for distribution functions</a><a class="headerlink" href="#sampling-frequency-for-distribution-functions" title="Link to this heading">#</a></h2>
+<h2>Sampling frequency for distribution functions<a class="headerlink" href="#sampling-frequency-for-distribution-functions" title="Link to this heading">#</a></h2>
 <section id="num-freq-points-freq-pitch-num-frequency-points">
-<span id="freq-sampling-option"></span><h3><a class="toc-backref" href="#id72" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--num-freq-points</span></code>, <code class="docutils literal notranslate"><span class="pre">--freq-pitch</span></code> (<code class="docutils literal notranslate"><span class="pre">NUM_FREQUENCY_POINTS</span></code>)</a><a class="headerlink" href="#num-freq-points-freq-pitch-num-frequency-points" title="Link to this heading">#</a></h3>
+<span id="freq-sampling-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--num-freq-points</span></code>, <code class="docutils literal notranslate"><span class="pre">--freq-pitch</span></code> (<code class="docutils literal notranslate"><span class="pre">NUM_FREQUENCY_POINTS</span></code>)<a class="headerlink" href="#num-freq-points-freq-pitch-num-frequency-points" title="Link to this heading">#</a></h3>
 <p>For spectrum-like calculations of imaginary part of self energy, spectral
 function, and JDOS, number or interval of uniform sampling frequency points is
 controlled by <code class="docutils literal notranslate"><span class="pre">--num-freq-points</span></code> or <code class="docutils literal notranslate"><span class="pre">--freq-pitch</span></code>. Both are unspecified,
@@ -1520,32 +1412,32 @@ <h2><a class="toc-backref" href="#id71" role="doc-backlink">Sampling frequency f
 </section>
 </section>
 <section id="mode-gruneisen-parameter-from-3rd-order-force-constants">
-<h2><a class="toc-backref" href="#id73" role="doc-backlink">Mode-Gruneisen parameter from 3rd order force constants</a><a class="headerlink" href="#mode-gruneisen-parameter-from-3rd-order-force-constants" title="Link to this heading">#</a></h2>
+<h2>Mode-Gruneisen parameter from 3rd order force constants<a class="headerlink" href="#mode-gruneisen-parameter-from-3rd-order-force-constants" title="Link to this heading">#</a></h2>
 <section id="gruneisen-gruneisen-true">
-<h3><a class="toc-backref" href="#id74" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--gruneisen</span></code> (<code class="docutils literal notranslate"><span class="pre">GRUNEISEN</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#gruneisen-gruneisen-true" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--gruneisen</span></code> (<code class="docutils literal notranslate"><span class="pre">GRUNEISEN</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#gruneisen-gruneisen-true" title="Link to this heading">#</a></h3>
 <p>Mode-Gruneisen-parameters are calculated from fc3.</p>
 <p>Mesh sampling mode:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;16 16 16&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--gruneisen
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span><span class="m">16</span><span class="w"> </span>--nac<span class="w"> </span>--gruneisen
 </pre></div>
 </div>
 <p>Band path mode:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>-v<span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--gruneisen<span class="w"> </span>--band<span class="o">=</span><span class="s2">&quot;0 0 0  0 0 1/2&quot;</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--nac<span class="w"> </span>--gruneisen<span class="w"> </span>--band<span class="w"> </span><span class="s2">&quot;0 0 0  0 0 1/2&quot;</span>
 </pre></div>
 </div>
 </section>
 </section>
 <section id="file-i-o">
-<h2><a class="toc-backref" href="#id75" role="doc-backlink">File I/O</a><a class="headerlink" href="#file-i-o" title="Link to this heading">#</a></h2>
+<h2>File I/O<a class="headerlink" href="#file-i-o" title="Link to this heading">#</a></h2>
 <section id="fc2-read-fc2-true">
-<h3><a class="toc-backref" href="#id76" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--fc2</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_FC2</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#fc2-read-fc2-true" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--fc2</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_FC2</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#fc2-read-fc2-true" title="Link to this heading">#</a></h3>
 <p>Read 2nd order force constants from <code class="docutils literal notranslate"><span class="pre">fc2.hdf5</span></code>.</p>
 </section>
 <section id="fc3-read-fc3-true">
-<h3><a class="toc-backref" href="#id77" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--fc3</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_FC3</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#fc3-read-fc3-true" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--fc3</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_FC3</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#fc3-read-fc3-true" title="Link to this heading">#</a></h3>
 <p>Read 3rd order force constants from <code class="docutils literal notranslate"><span class="pre">fc3.hdf5</span></code>.</p>
 </section>
 <section id="write-gamma-write-gamma-true">
-<span id="write-gamma-option"></span><h3><a class="toc-backref" href="#id78" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--write-gamma</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_GAMMA</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#write-gamma-write-gamma-true" title="Link to this heading">#</a></h3>
+<span id="write-gamma-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--write-gamma</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_GAMMA</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#write-gamma-write-gamma-true" title="Link to this heading">#</a></h3>
 <p>Imaginary parts of self energy at harmonic phonon frequencies
 <span class="math notranslate nohighlight">\(\Gamma_\lambda(\omega_\lambda)\)</span> are written into file in hdf5 format. The
 result is written into <code class="docutils literal notranslate"><span class="pre">kappa-mxxx-gx(-sx-sdx).hdf5</span></code> or
@@ -1554,7 +1446,7 @@ <h3><a class="toc-backref" href="#id77" role="doc-backlink"><code class="docutil
 of <code class="docutils literal notranslate"><span class="pre">.hdf5</span></code>.</p>
 </section>
 <section id="read-gamma-read-gamma-true">
-<span id="read-gamma-option"></span><h3><a class="toc-backref" href="#id79" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--read-gamma</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_GAMMA</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#read-gamma-read-gamma-true" title="Link to this heading">#</a></h3>
+<span id="read-gamma-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--read-gamma</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_GAMMA</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#read-gamma-read-gamma-true" title="Link to this heading">#</a></h3>
 <p>Imaginary parts of self energy at harmonic phonon frequencies
 <span class="math notranslate nohighlight">\(\Gamma_\lambda(\omega_\lambda)\)</span> are read from <code class="docutils literal notranslate"><span class="pre">kappa</span></code> file in hdf5 format.
 Initially the usual result file of <code class="docutils literal notranslate"><span class="pre">kappa-mxxx(-sx-sdx).hdf5</span></code> is searched.
@@ -1563,7 +1455,7 @@ <h3><a class="toc-backref" href="#id77" role="doc-backlink"><code class="docutil
 not found, <code class="docutils literal notranslate"><span class="pre">kappa-mxxx-gx-bx(-sx-sdx).hdf5</span></code> files for band indices are searched.</p>
 </section>
 <section id="write-gamma-detail-write-gamma-detail-true">
-<span id="write-detailed-gamma-option"></span><h3><a class="toc-backref" href="#id80" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--write-gamma-detail</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_GAMMA_DETAIL</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#write-gamma-detail-write-gamma-detail-true" title="Link to this heading">#</a></h3>
+<span id="write-detailed-gamma-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--write-gamma-detail</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_GAMMA_DETAIL</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#write-gamma-detail-write-gamma-detail-true" title="Link to this heading">#</a></h3>
 <p>Each q-point triplet contribution to imaginary part of self energy is written
 into <code class="docutils literal notranslate"><span class="pre">gamma_detail-mxxx-gx(-sx-sdx).hdf5</span></code> file. Be careful that this is large
 data.</p>
@@ -1642,11 +1534,11 @@ <h3><a class="toc-backref" href="#id77" role="doc-backlink"><code class="docutil
 </div>
 </section>
 <section id="write-phonon-write-phonon-true">
-<span id="write-phonon-option"></span><h3><a class="toc-backref" href="#id81" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--write-phonon</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_PHONON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#write-phonon-write-phonon-true" title="Link to this heading">#</a></h3>
+<span id="write-phonon-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--write-phonon</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_PHONON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#write-phonon-write-phonon-true" title="Link to this heading">#</a></h3>
 <p>Phonon frequencies, eigenvectors, and grid point addresses are stored in
 <code class="docutils literal notranslate"><span class="pre">phonon-mxxx.hdf5</span></code> file. <a class="reference internal" href="#pa-option"><span class="std std-ref">–pa</span></a> and <a class="reference internal" href="#nac-option"><span class="std std-ref">–nac</span></a>
 may be required depending on calculation setting.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--write-phoonon
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span>--nac<span class="w"> </span>--write-phoonon
 </pre></div>
 </div>
 <p>Contents of <code class="docutils literal notranslate"><span class="pre">phonon-mxxx.hdf5</span></code> are watched by:</p>
@@ -1682,19 +1574,19 @@ <h3><a class="toc-backref" href="#id77" role="doc-backlink"><code class="docutil
 based on the Brillouin zone.</p>
 </section>
 <section id="read-phonon-read-phonon-true">
-<span id="read-phonon-option"></span><h3><a class="toc-backref" href="#id82" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--read-phonon</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PHONON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#read-phonon-read-phonon-true" title="Link to this heading">#</a></h3>
+<span id="read-phonon-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--read-phonon</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PHONON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#read-phonon-read-phonon-true" title="Link to this heading">#</a></h3>
 <p>Phonon frequencies, eigenvectors, and grid point addresses are read from
 <code class="docutils literal notranslate"><span class="pre">phonon-mxxx.hdf5</span></code> file and the calculation is continued using these phonon
 values. This is useful when we want to use fixed phonon eigenvectors that can be
 different for degenerate bands when using different eigenvalue solvers or
 different CPU architectures. <a class="reference internal" href="#pa-option"><span class="std std-ref">–pa</span></a> and
 <a class="reference internal" href="#nac-option"><span class="std std-ref">–nac</span></a> may be required depending on calculation setting.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc2<span class="w"> </span>--fc3<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2  2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--read-phoonon<span class="w"> </span>--br
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span>--nac<span class="w"> </span>--read-phoonon<span class="w"> </span>--br
 </pre></div>
 </div>
 </section>
 <section id="write-pp-write-pp-true-and-read-pp-read-pp-true">
-<span id="write-read-pp-option"></span><h3><a class="toc-backref" href="#id83" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--write-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>) and <code class="docutils literal notranslate"><span class="pre">--read-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a><a class="headerlink" href="#write-pp-write-pp-true-and-read-pp-read-pp-true" title="Link to this heading">#</a></h3>
+<span id="write-read-pp-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--write-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>) and <code class="docutils literal notranslate"><span class="pre">--read-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)<a class="headerlink" href="#write-pp-write-pp-true-and-read-pp-read-pp-true" title="Link to this heading">#</a></h3>
 <p>Phonon-phonon (ph-ph) interaction strengths are written to and read from
 <code class="docutils literal notranslate"><span class="pre">pp-mxxx-gx.hdf5</span></code>. This works only in the calculation of lattice thermal
 conductivity, i.e., usable only with <code class="docutils literal notranslate"><span class="pre">--br</span></code> or <code class="docutils literal notranslate"><span class="pre">--lbte</span></code>. The stored data are
@@ -1704,15 +1596,15 @@ <h3><a class="toc-backref" href="#id77" role="doc-backlink"><code class="docutil
 collisions are stored in a complicated way. In the case of RTA conductivity
 calculation, in writing and reading, ph-ph interaction strength has to be stored
 in memory, so there is overhead in memory than usual RTA calculation.</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc2<span class="w"> </span>--fc3<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--write-pp<span class="w"> </span>--br<span class="w"> </span>--gp<span class="o">=</span><span class="m">1</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span>--nac<span class="w"> </span>--write-pp<span class="w"> </span>--br<span class="w"> </span>--gp<span class="w"> </span><span class="m">1</span>
 </pre></div>
 </div>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--nac<span class="w"> </span>--read-pp<span class="w"> </span>--br<span class="w"> </span>--gp<span class="o">=</span><span class="m">1</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="m">11</span><span class="w"> </span>--nac<span class="w"> </span>--read-pp<span class="w"> </span>--br<span class="w"> </span>--gp<span class="w"> </span><span class="m">1</span>
 </pre></div>
 </div>
 </section>
 <section id="hdf5-compression-command-option-only">
-<span id="hdf5-compression-option"></span><h3><a class="toc-backref" href="#id84" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--hdf5-compression</span></code> (command option only)</a><a class="headerlink" href="#hdf5-compression-command-option-only" title="Link to this heading">#</a></h3>
+<span id="hdf5-compression-option"></span><h3><code class="docutils literal notranslate"><span class="pre">--hdf5-compression</span></code> (command option only)<a class="headerlink" href="#hdf5-compression-command-option-only" title="Link to this heading">#</a></h3>
 <p>Most of phono3py HDF5 output file is compressed by default with the <code class="docutils literal notranslate"><span class="pre">gzip</span></code>
 compression filter. To avoid compression, <code class="docutils literal notranslate"><span class="pre">--hdf5-compression=None</span></code> has to be
 set. Other filters (<code class="docutils literal notranslate"><span class="pre">lzf</span></code> or integer values of 0 to 9) may be used, see h5py
@@ -1720,7 +1612,7 @@ <h3><a class="toc-backref" href="#id77" role="doc-backlink"><code class="docutil
 (<a class="reference external" href="http://docs.h5py.org/en/stable/high/dataset.html#filter-pipeline">http://docs.h5py.org/en/stable/high/dataset.html#filter-pipeline</a>).</p>
 </section>
 <section id="o-command-option-only">
-<span id="output-filename-option"></span><h3><a class="toc-backref" href="#id85" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">-o</span></code> (command option only)</a><a class="headerlink" href="#o-command-option-only" title="Link to this heading">#</a></h3>
+<span id="output-filename-option"></span><h3><code class="docutils literal notranslate"><span class="pre">-o</span></code> (command option only)<a class="headerlink" href="#o-command-option-only" title="Link to this heading">#</a></h3>
 <p>This modifies default output file names to write.</p>
 <p>Using this option, output file names are slightly modified. For example, with
 <code class="docutils literal notranslate"><span class="pre">-o</span> <span class="pre">iso</span></code>, a file name <code class="docutils literal notranslate"><span class="pre">kappa-m191919.hdf5</span></code> is changed to
@@ -1736,7 +1628,7 @@ <h3><a class="toc-backref" href="#id77" role="doc-backlink"><code class="docutil
 </ul>
 </section>
 <section id="i-command-option-only">
-<span id="input-filename-option"></span><h3><a class="toc-backref" href="#id86" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">-i</span></code> (command option only)</a><a class="headerlink" href="#i-command-option-only" title="Link to this heading">#</a></h3>
+<span id="input-filename-option"></span><h3><code class="docutils literal notranslate"><span class="pre">-i</span></code> (command option only)<a class="headerlink" href="#i-command-option-only" title="Link to this heading">#</a></h3>
 <p>This modifies default input file names to read.</p>
 <p>Using this option, input file names are slightly modified. For example,
 specifying <code class="docutils literal notranslate"><span class="pre">-i</span> <span class="pre">iso</span> <span class="pre">--fc3</span></code>, a file name <code class="docutils literal notranslate"><span class="pre">fc3.iso.hdf5</span></code> is read instead of
@@ -1751,7 +1643,7 @@ <h3><a class="toc-backref" href="#id77" role="doc-backlink"><code class="docutil
 </ul>
 </section>
 <section id="io-command-option-only">
-<h3><a class="toc-backref" href="#id87" role="doc-backlink"><code class="docutils literal notranslate"><span class="pre">--io</span></code> (command option only)</a><a class="headerlink" href="#io-command-option-only" title="Link to this heading">#</a></h3>
+<h3><code class="docutils literal notranslate"><span class="pre">--io</span></code> (command option only)<a class="headerlink" href="#io-command-option-only" title="Link to this heading">#</a></h3>
 <p>This modifies default input and output file names.</p>
 <p>This is equivalent to setting <code class="docutils literal notranslate"><span class="pre">-i</span></code> and <code class="docutils literal notranslate"><span class="pre">-o</span></code> simultaneously.</p>
 <!-- ## References
@@ -1808,6 +1700,7 @@ <h3><a class="toc-backref" href="#id87" role="doc-backlink"><code class="docutil
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#use-of-configuration-file">Use of configuration file</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#input-cell-file-name">Input cell file name</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#c-cell-filename"><code class="docutils literal notranslate"><span class="pre">-c</span></code> (<code class="docutils literal notranslate"><span class="pre">CELL_FILENAME</span></code>)</a></li>
 </ul>
@@ -1850,7 +1743,7 @@ <h3><a class="toc-backref" href="#id87" role="doc-backlink"><code class="docutil
 </li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#force-constants">Force constants</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cfc-or-compact-fc-compact-fc-true"><code class="docutils literal notranslate"><span class="pre">--cfc</span></code> or <code class="docutils literal notranslate"><span class="pre">--compact-fc</span></code> (<code class="docutils literal notranslate"><span class="pre">COMPACT_FC</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#sym-fc-fc-symmetry-true"><code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_SYMMETRY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#fc-symmetry-fc-symmetry-true"><code class="docutils literal notranslate"><span class="pre">--fc-symmetry</span></code> (<code class="docutils literal notranslate"><span class="pre">FC_SYMMETRY</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cutoff-fc3-or-cutoff-fc3-distance-cutoff-fc3-distance"><code class="docutils literal notranslate"><span class="pre">--cutoff-fc3</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-fc3-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_FC3_DISTANCE</span></code>)</a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cutoff-pair-or-cutoff-pair-distance-cutoff-pair-distance"><code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span></code> or <code class="docutils literal notranslate"><span class="pre">--cutoff-pair-distance</span></code> (<code class="docutils literal notranslate"><span class="pre">CUTOFF_PAIR_DISTANCE</span></code>)</a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#alm"><code class="docutils literal notranslate"><span class="pre">--alm</span></code></a></li>
diff --git a/crystal.html b/crystal.html
index 6bc545ea..0d68ea24 100644
--- a/crystal.html
+++ b/crystal.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>CRYSTAL &amp; phono3py calculation &#8212; Phono3py v.3.3.3</title>
+    <title>CRYSTAL &amp; phono3py calculation &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -397,10 +397,10 @@ <h2> Contents </h2>
 <code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code>, therefore they must exist in current directory.</p>
 </li>
 <li><p>Calculate 3rd and 2nd order force constants in files <code class="docutils literal notranslate"><span class="pre">fc3.hdf5</span></code> and <code class="docutils literal notranslate"><span class="pre">fc2.hdf5</span></code>:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--crystal<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--dim-fc2<span class="o">=</span><span class="s2">&quot;4 4 4&quot;</span><span class="w"> </span>--sym-fc
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--crystal<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--dim-fc2<span class="o">=</span><span class="s2">&quot;4 4 4&quot;</span><span class="w"> </span>--fc-symmetry
 </pre></div>
 </div>
-<p><code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code> is used to symmetrize second- and third-order force constants.</p>
+<p><code class="docutils literal notranslate"><span class="pre">--fc-symmetry</span></code> is used to symmetrize second- and third-order force constants.</p>
 </li>
 <li><p>Thermal conductivity calculation:</p>
 <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--crystal<span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--dim-fc2<span class="o">=</span><span class="s2">&quot;4 4 4&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;20 20 20&quot;</span><span class="w"> </span>--br
diff --git a/cutoff-pair.html b/cutoff-pair.html
index 095a87bf..71ae3c4d 100644
--- a/cutoff-pair.html
+++ b/cutoff-pair.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Force constants calculation with cutoff pair-distance &#8212; Phono3py v.3.3.3</title>
+    <title>Force constants calculation with cutoff pair-distance &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -353,13 +353,14 @@ <h2> Contents </h2>
                   
   <section class="tex2jax_ignore mathjax_ignore" id="force-constants-calculation-with-cutoff-pair-distance">
 <span id="command-cutoff-pair"></span><h1>Force constants calculation with cutoff pair-distance<a class="headerlink" href="#force-constants-calculation-with-cutoff-pair-distance" title="Link to this heading">#</a></h1>
-<p>Since this calculation is a little bit tricky. It may be recommended to try
+<div class="admonition note">
+<p class="admonition-title">Note</p>
+<p>Since usage of this calculation is complicated. It is recommended to try
 <a class="reference internal" href="random-displacements.html#random-displacements"><span class="std std-ref">Force constants calculation with randan displacements of atoms</span></a> with <code class="docutils literal notranslate"><span class="pre">--fc-calc-opt</span> <span class="pre">&quot;cutoff</span> <span class="pre">=</span> <span class="pre">VAL&quot;</span></code> before trying
 this option.</p>
+</div>
 <p>Here the detail of the command option <a class="reference internal" href="command-options.html#cutoff-pair-option"><span class="std std-ref">–cutoff-pair</span></a>
-is explained.</p>
-<!-- See also reference {cite}`Mizokami-PRB-2018`. -->
-<p>See also <a class="reference internal" href="reference.html#cutoff-pair-reference"><span class="std std-ref">a reference paper</span></a>.</p>
+is explained. See also <a class="reference internal" href="reference.html#cutoff-pair-reference"><span class="std std-ref">a reference paper</span></a>.</p>
 <nav class="contents local" id="contents">
 <ul class="simple">
 <li><p><a class="reference internal" href="#what-is-cutff-pair-distance-in-phono3py" id="id1">What is cutff pair-distance in phono3py?</a></p></li>
@@ -671,7 +672,7 @@ <h3><a class="toc-backref" href="#id10" role="doc-backlink">Si-PBE</a><a class="
 <span class="w">  </span><span class="m">300</span>.0<span class="w">     </span><span class="m">119</span>.501<span class="w">    </span><span class="m">119</span>.501<span class="w">    </span><span class="m">119</span>.501<span class="w">     </span>-0.000<span class="w">     </span>-0.000<span class="w">      </span><span class="m">0</span>.000
 <span class="w">  </span><span class="m">300</span>.0<span class="w">     </span><span class="m">119</span>.483<span class="w">    </span><span class="m">119</span>.483<span class="w">    </span><span class="m">119</span>.483<span class="w">     </span>-0.000<span class="w">     </span>-0.000<span class="w">      </span><span class="m">0</span>.000
 <span class="w">  </span><span class="m">300</span>.0<span class="w">     </span><span class="m">119</span>.481<span class="w">    </span><span class="m">119</span>.481<span class="w">    </span><span class="m">119</span>.481<span class="w">     </span>-0.000<span class="w">     </span>-0.000<span class="w">      </span><span class="m">0</span>.000
-%<span class="w"> </span><span class="k">for</span><span class="w"> </span>i<span class="w"> </span><span class="k">in</span><span class="w"> </span><span class="o">{</span><span class="m">2</span>..10<span class="o">}</span><span class="p">;</span><span class="k">do</span><span class="w"> </span>cp<span class="w"> </span>phono3py_disp.<span class="nv">$i</span>.yaml<span class="w"> </span>phono3py_disp.yaml<span class="p">;</span><span class="w"> </span>phono3py<span class="w"> </span>--sym-fc<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>--br<span class="p">|</span>tee<span class="w"> </span>std.sym-<span class="nv">$i</span>.out<span class="p">;</span><span class="k">done</span>
+%<span class="w"> </span><span class="k">for</span><span class="w"> </span>i<span class="w"> </span><span class="k">in</span><span class="w"> </span><span class="o">{</span><span class="m">2</span>..10<span class="o">}</span><span class="p">;</span><span class="k">do</span><span class="w"> </span>cp<span class="w"> </span>phono3py_disp.<span class="nv">$i</span>.yaml<span class="w"> </span>phono3py_disp.yaml<span class="p">;</span><span class="w"> </span>phono3py<span class="w"> </span>--fc-symmetry<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>--br<span class="p">|</span>tee<span class="w"> </span>std.sym-<span class="nv">$i</span>.out<span class="p">;</span><span class="k">done</span>
 %<span class="w"> </span><span class="k">for</span><span class="w"> </span>i<span class="w"> </span><span class="k">in</span><span class="w"> </span><span class="o">{</span><span class="m">2</span>..10<span class="o">}</span><span class="p">;</span><span class="k">do</span><span class="w"> </span>egrep<span class="w"> </span><span class="s1">&#39;^\s+300&#39;</span><span class="w"> </span>std.sym-<span class="nv">$i</span>.out<span class="p">;</span><span class="k">done</span>
 <span class="w">  </span><span class="m">300</span>.0<span class="w">     </span><span class="m">124</span>.650<span class="w">    </span><span class="m">124</span>.650<span class="w">    </span><span class="m">124</span>.650<span class="w">     </span>-0.000<span class="w">     </span>-0.000<span class="w">      </span><span class="m">0</span>.000
 <span class="w">  </span><span class="m">300</span>.0<span class="w">     </span><span class="m">119</span>.765<span class="w">    </span><span class="m">119</span>.765<span class="w">    </span><span class="m">119</span>.765<span class="w">     </span>-0.000<span class="w">     </span>-0.000<span class="w">      </span><span class="m">0</span>.000
diff --git a/direct-solution.html b/direct-solution.html
index bc444ea5..6ec29fe0 100644
--- a/direct-solution.html
+++ b/direct-solution.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Direct solution of linearized phonon Boltzmann equation &#8212; Phono3py v.3.3.3</title>
+    <title>Direct solution of linearized phonon Boltzmann equation &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/examples.html b/examples.html
index 0c135d60..410f6e36 100644
--- a/examples.html
+++ b/examples.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Examples &#8212; Phono3py v.3.3.3</title>
+    <title>Examples &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/external-tools.html b/external-tools.html
index a7bfdd6f..58203153 100644
--- a/external-tools.html
+++ b/external-tools.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>External tools &#8212; Phono3py v.3.3.3</title>
+    <title>External tools &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/genindex.html b/genindex.html
index 80676310..13a61e4c 100644
--- a/genindex.html
+++ b/genindex.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>Index &#8212; Phono3py v.3.3.3</title>
+    <title>Index &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -35,7 +35,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -131,7 +131,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/hdf5_howto.html b/hdf5_howto.html
index 6b81f9c8..d66b26ff 100644
--- a/hdf5_howto.html
+++ b/hdf5_howto.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>How to read the results stored in hdf5 files &#8212; Phono3py v.3.3.3</title>
+    <title>How to read the results stored in hdf5 files &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/index.html b/index.html
index eefac4fd..62480c7f 100644
--- a/index.html
+++ b/index.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Welcome to phono3py &#8212; Phono3py v.3.3.3</title>
+    <title>Welcome to phono3py &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -135,7 +135,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -362,22 +362,16 @@ <h1>Welcome to phono3py<a class="headerlink" href="#welcome-to-phono3py" title="
 <p>Papers that may introduce phono3py:</p>
 <ul class="simple">
 <li><p>Theoretical background is summarized in this paper:
-<a class="reference external" href="http://dx.doi.org/10.1103/PhysRevB.91.094306">http://dx.doi.org/10.1103/PhysRevB.91.094306</a> (arxiv
-<a class="reference external" href="http://arxiv.org/abs/1501.00691">http://arxiv.org/abs/1501.00691</a>).</p></li>
+<a class="reference external" href="http://dx.doi.org/10.1103/PhysRevB.91.094306">PRB.91.094306</a> (arxiv
+<a class="reference external" href="http://arxiv.org/abs/1501.00691%3E">1501.00691</a>).</p></li>
 <li><p>Introduction to phono3py application:
-<a class="reference external" href="https://journals.jps.jp/doi/10.7566/JPSJ.92.012001">https://journals.jps.jp/doi/10.7566/JPSJ.92.012001</a> (open access),
+<a class="reference external" href="https://journals.jps.jp/doi/10.7566/JPSJ.92.012001">JPSJ.92.012001</a> (open access),
 and phono3py inputs for 103 compounds found in Fig.17
 <a class="github reference external" href="https://github.com/atztogo/phonondb/blob/main/mdr/phono3py_103compounds_fd/README.md">atztogo/phonondb</a></p></li>
 <li><p>Implementation of phono3py:
-<a class="reference external" href="https://iopscience.iop.org/article/10.1088/1361-648X/acd831">https://iopscience.iop.org/article/10.1088/1361-648X/acd831</a> (open access)</p></li>
+<a class="reference external" href="https://iopscience.iop.org/article/10.1088/1361-648X/acd831">JPCM.35.353001</a>
+(open access)</p></li>
 </ul>
-<p>A set of pre-calculated data for phono3py in</p>
-<a class="reference internal image-reference" href="_images/Si-kaccum.png"><img alt="_images/Si-kaccum.png" src="_images/Si-kaccum.png" style="width: 20%;" />
-</a>
-<a class="reference internal image-reference" href="_images/Si-kaccum-MFP.png"><img alt="_images/Si-kaccum-MFP.png" src="_images/Si-kaccum-MFP.png" style="width: 20%;" />
-</a>
-<a class="reference internal image-reference" href="_images/Si-kdeplot.png"><img alt="_images/Si-kdeplot.png" src="_images/Si-kdeplot.png" style="width: 22%;" />
-</a>
 <section id="documentation">
 <h2>Documentation<a class="headerlink" href="#documentation" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
diff --git a/input-output-files.html b/input-output-files.html
index 41929c16..8c572536 100644
--- a/input-output-files.html
+++ b/input-output-files.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Input / Output files &#8212; Phono3py v.3.3.3</title>
+    <title>Input / Output files &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/install.html b/install.html
index 8868cff6..b7e56bc0 100644
--- a/install.html
+++ b/install.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Installation &#8212; Phono3py v.3.3.3</title>
+    <title>Installation &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/interfaces.html b/interfaces.html
index 1e5842d1..c43f74cb 100644
--- a/interfaces.html
+++ b/interfaces.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Interfaces to calculators &#8212; Phono3py v.3.3.3</title>
+    <title>Interfaces to calculators &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/objects.inv b/objects.inv
index 288804128694c428cf59f6007121df274d403efd..097a0b40f2403b5e01db1e600027558f2b9757b2 100644
GIT binary patch
delta 400
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Prw)D1_o)8@4YDrxw>!F3

diff --git a/phono3py-api.html b/phono3py-api.html
index 8a5e676f..2b84abfe 100644
--- a/phono3py-api.html
+++ b/phono3py-api.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Phono3py API &#8212; Phono3py v.3.3.3</title>
+    <title>Phono3py API &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/phono3py-load.html b/phono3py-load.html
index 7b067576..4e814ea2 100644
--- a/phono3py-load.html
+++ b/phono3py-load.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>phono3py-load command &#8212; Phono3py v.3.3.3</title>
+    <title>phono3py-load command &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -332,28 +332,38 @@ <h1>phono3py-load command</h1>
 module. The main aim of introducing this command is to provide uniform usage
 over many different force calculators. Once <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> is created, the
 following operations will be the same using this command.</p>
-<p>The following default behaviours are different from that of those of <code class="docutils literal notranslate"><span class="pre">phono3py</span></code>
-command:</p>
-<ol class="arabic simple">
+<p>This is used almost in the same way as <code class="docutils literal notranslate"><span class="pre">phono3py</span></code> command, e.g., but there are
+some differences. The following default behaviours are different from that of
+those of <code class="docutils literal notranslate"><span class="pre">phono3py</span></code> command:</p>
+<ol class="arabic">
 <li><p><code class="docutils literal notranslate"><span class="pre">phono3py_xxx.yaml</span></code> type file is always necessary in either of two ways:</p>
-<ul class="simple">
+<ul>
 <li><p><code class="docutils literal notranslate"><span class="pre">phono3py_xxx.yaml</span></code> type file is given as the first argument of the
-command.</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">phono3py_xxx.yaml</span></code> type file is put in the current directory with one of
-the default filenames of <code class="docutils literal notranslate"><span class="pre">phono3py_params.yaml</span></code>, <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code>,
-<code class="docutils literal notranslate"><span class="pre">phono3py.yaml</span></code>. The searching preference order is <code class="docutils literal notranslate"><span class="pre">phono3py_params.yaml</span></code> &gt;
-<code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> &gt; <code class="docutils literal notranslate"><span class="pre">phono3py.yaml</span></code>.</p></li>
+command, e.g.,</p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>phono3py_xxx.yaml<span class="w"> </span>--br<span class="w"> </span>--ts<span class="w"> </span><span class="m">300</span><span class="w"> </span>--mesh<span class="w"> </span><span class="m">50</span>
+</pre></div>
+</div>
+</li>
+<li><p>With first argument unspecified, <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> or <code class="docutils literal notranslate"><span class="pre">phono3py.yaml</span></code>
+file is read if it is found in the current directory. If both found,
+<code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> is read. For example, having <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code>
+under the current directory,</p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--br<span class="w"> </span>--ts<span class="w"> </span><span class="m">300</span><span class="w"> </span>--mesh<span class="w"> </span><span class="m">50</span>
+</pre></div>
+</div>
+</li>
 </ul>
 </li>
 <li><p><code class="docutils literal notranslate"><span class="pre">-c</span></code> option (read crystal structure) does not exist.</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">-d</span></code> option (create displacements) does not exist.</p></li>
-<li><p>Use of command options is recommended, but phono3py configuration file can be
-read through <code class="docutils literal notranslate"><span class="pre">--config</span></code> option.</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">-d</span></code> option (create displacements) does not exist. Please use <code class="docutils literal notranslate"><span class="pre">phono3py</span></code>
+command.</p></li>
+<li><p>Phono3py configuration file can be read through <code class="docutils literal notranslate"><span class="pre">--config</span></code> option. See
+<a class="reference internal" href="command-options.html#use-config-with-option"><span class="std std-ref">Use of configuration file</span></a>.</p></li>
 <li><p>If parameters for non-analytical term correction (NAC) are found, NAC is
 automatically enabled. This can be disabled by <code class="docutils literal notranslate"><span class="pre">--nonac</span></code> option.</p></li>
 <li><p>When force constants are calculated from displacements and forces dataset,
 force constants are automatically symmetrized. To disable this, <code class="docutils literal notranslate"><span class="pre">--no-sym-fc</span></code>
-option is used.</p></li>
+option can be used.</p></li>
 <li><p><code class="docutils literal notranslate"><span class="pre">-o</span></code> option works differently from <code class="docutils literal notranslate"><span class="pre">phono3py</span></code> command. This option requires
 one argument of string. The string is used as the output yaml filename that
 replaces the default output yaml filename of <code class="docutils literal notranslate"><span class="pre">phono3py.yaml</span></code>.</p></li>
diff --git a/qe.html b/qe.html
index d549aab0..a707926a 100644
--- a/qe.html
+++ b/qe.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Quantum ESPRESSO (pw) &amp; phono3py calculation &#8212; Phono3py v.3.3.3</title>
+    <title>Quantum ESPRESSO (pw) &amp; phono3py calculation &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -389,10 +389,10 @@ <h2> Contents </h2>
 <ol class="arabic" start="4">
 <li><p>Calculate 3rd and 2nd order force constants</p>
 <p><code class="docutils literal notranslate"><span class="pre">fc3.hdf5</span></code> and <code class="docutils literal notranslate"><span class="pre">fc2.hdf5</span></code> files are created by:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--sym-fc
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc-symmetry
 </pre></div>
 </div>
-<p>where <code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code> symmetrizes fc3 and fc2.</p>
+<p>where <code class="docutils literal notranslate"><span class="pre">--fc-symmetry</span></code> symmetrizes fc3 and fc2.</p>
 </li>
 <li><p>Calculate lattice thermal conductivity, e.g., by:</p>
 <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;11 11 11&quot;</span><span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--br
diff --git a/random-displacements.html b/random-displacements.html
index 7647cc9c..12825165 100644
--- a/random-displacements.html
+++ b/random-displacements.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Force constants calculation with randan displacements of atoms &#8212; Phono3py v.3.3.3</title>
+    <title>Force constants calculation with randan displacements of atoms &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -323,7 +323,7 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#related-setting-tags">Related setting tags</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#related-command-options">Related command options</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#generation-of-random-directional-displacements">Generation of random directional displacements</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#create-forces-fc3-and-forces-fc2">Create <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code> and <code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code></a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#create-phono3py-params-yaml">Create <code class="docutils literal notranslate"><span class="pre">phono3py_params.yaml</span></code></a></li>
@@ -346,8 +346,8 @@ <h2> Contents </h2>
 displacement-force dataset for computing force constants. This requires an
 external force constants calculator, e.g., symfc or ALM. Here, examples are
 presented with using symfc that can be installed via pip or conda easily.</p>
-<section id="related-setting-tags">
-<h2>Related setting tags<a class="headerlink" href="#related-setting-tags" title="Link to this heading">#</a></h2>
+<section id="related-command-options">
+<h2>Related command options<a class="headerlink" href="#related-command-options" title="Link to this heading">#</a></h2>
 <ul class="simple">
 <li><p><a class="reference internal" href="command-options.html#random-displacements-option"><span class="std std-ref">--rd (RANDOM_DISPLACEMENTS), --rd-fc2 (RANDOM_DISPLACEMENTS_FC2) and --random-seed (RANDOM_SEED)</span></a> (<code class="docutils literal notranslate"><span class="pre">--rd</span></code>, <code class="docutils literal notranslate"><span class="pre">--random-seed</span></code>)</p></li>
 <li><p><a class="reference internal" href="command-options.html#fc-calculator-option"><span class="std std-ref">--fc-calc, --fc-calculator (FC_CALCULATOR)</span></a> (<code class="docutils literal notranslate"><span class="pre">--fc-calc</span></code>)</p></li>
@@ -410,19 +410,19 @@ <h2>Calculation of force constants<a class="headerlink" href="#calculation-of-fo
 <p>If <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> is located in current directory, force constants are
 calculated from <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code> (and optionally <code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code>) and
 <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code> by</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--symfc<span class="w"> </span>-v
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--symfc<span class="w"> </span>-v
 </pre></div>
 </div>
-<p>or with <code class="docutils literal notranslate"><span class="pre">phono3py_params.yaml</span></code></p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>-c<span class="w"> </span>phono3py_params.yaml<span class="w"> </span>--symfc<span class="w"> </span>-v
+<p>or</p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>phono3py_params.yaml<span class="w"> </span>--symfc<span class="w"> </span>-v
 </pre></div>
 </div>
-<p>Similarly, it is performed by also using <code class="docutils literal notranslate"><span class="pre">phono3py-load</span></code> command,</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--symfc<span class="w"> </span>-v
+<p>Similarly, it is performed by also using <code class="docutils literal notranslate"><span class="pre">phono3py</span></code> command,</p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--symfc<span class="w"> </span>-v
 </pre></div>
 </div>
-<p>or</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>phono3py_params.yaml<span class="w"> </span>--symfc<span class="w"> </span>-v
+<p>or with <code class="docutils literal notranslate"><span class="pre">phono3py_params.yaml</span></code></p>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>-c<span class="w"> </span>phono3py_params.yaml<span class="w"> </span>--symfc<span class="w"> </span>-v
 </pre></div>
 </div>
 </section>
@@ -434,7 +434,7 @@ <h2>Cutoff pair-distance for fc3 calculation<a class="headerlink" href="#cutoff-
 memory space can also become large. In such case, it may be good to consider
 introducing cutoff distance for pairs of atoms. It is performed by
 <code class="docutils literal notranslate"><span class="pre">--fc-calc-opt</span></code> option as</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--symfc<span class="w"> </span>-v<span class="w"> </span>--fc-calc-opt<span class="w"> </span><span class="s2">&quot;cutoff=8&quot;</span>
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--symfc<span class="w"> </span>-v<span class="w"> </span>--fc-calc-opt<span class="w"> </span><span class="s2">&quot;cutoff=8&quot;</span>
 </pre></div>
 </div>
 <p>The shortcut of <code class="docutils literal notranslate"><span class="pre">--fc-calc-opt</span> <span class="pre">&quot;cutoff=8&quot;</span></code> is <code class="docutils literal notranslate"><span class="pre">--cutoff-pair</span> <span class="pre">8</span></code>.</p>
@@ -491,7 +491,7 @@ <h2>Cutoff pair-distance for fc3 calculation<a class="headerlink" href="#cutoff-
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#related-setting-tags">Related setting tags</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#related-command-options">Related command options</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#generation-of-random-directional-displacements">Generation of random directional displacements</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#create-forces-fc3-and-forces-fc2">Create <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code> and <code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code></a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#create-phono3py-params-yaml">Create <code class="docutils literal notranslate"><span class="pre">phono3py_params.yaml</span></code></a></li>
diff --git a/reference.html b/reference.html
index 46193798..893c5703 100644
--- a/reference.html
+++ b/reference.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>References &#8212; Phono3py v.3.3.3</title>
+    <title>References &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/search.html b/search.html
index f310b3d5..57504d3f 100644
--- a/search.html
+++ b/search.html
@@ -6,7 +6,7 @@
 
   <head>
     <meta charset="utf-8" />
-    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - Phono3py v.3.3.3</title>
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - Phono3py v.3.3.4</title>
   
   
   
@@ -34,7 +34,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -133,7 +133,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/searchindex.js b/searchindex.js
index 6f141bae..7025f759 100644
--- a/searchindex.js
+++ b/searchindex.js
@@ -1 +1 @@
-Search.setIndex({"alltitles": {"--alm": [[4, "alm"]], "--amplitude (DISPLACEMENT_DISTANCE)": [[4, "amplitude-displacement-distance"]], "--ave-pp (USE_AVE_PP = .TRUE.)": [[4, "ave-pp-use-ave-pp-true"]], "--average": [[1, "average"]], "--bi (BAND_INDICES)": [[4, "bi-band-indices"]], "--boundary-mfp, --bmfp (BOUNDARY_MFP)": [[4, "boundary-mfp-bmfp-boundary-mfp"]], "--br (BTERTA = .TRUE.)": [[4, "br-bterta-true"]], "--cf2 (command option only)": [[4, "cf2-command-option-only"]], "--cf3 (command option only)": [[4, "cf3-command-option-only"]], "--cf3-file (command option only)": [[4, "cf3-file-command-option-only"]], "--cfc or --compact-fc (COMPACT_FC = .TRUE.)": [[4, "cfc-or-compact-fc-compact-fc-true"]], "--cfs or --create-force-sets (command option only)": [[4, "cfs-or-create-force-sets-command-option-only"]], "--cfz (command option only)": [[4, "cfz-command-option-only"]], "--cmap": [[1, "cmap"]], "--const-ave-pp (CONST_AVE_PP = .TRUE.)": [[4, "const-ave-pp-const-ave-pp-true"]], "--crystal (CALCULATOR = CRYSTAL)": [[4, "crystal-calculator-crystal"]], "--cutoff, --fmax": [[1, "cutoff-fmax"]], "--cutoff-fc3 or --cutoff-fc3-distance (CUTOFF_FC3_DISTANCE)": [[4, "cutoff-fc3-or-cutoff-fc3-distance-cutoff-fc3-distance"]], "--cutoff-pair or --cutoff-pair-distance (CUTOFF_PAIR_DISTANCE)": [[4, "cutoff-pair-or-cutoff-pair-distance-cutoff-pair-distance"]], "--cv": [[1, "cv"]], "--dim (DIM)": [[4, "dim-dim"]], "--dim-fc2 (DIM_FC2)": [[4, "dim-fc2-dim-fc2"]], "--dos": [[1, "dos"]], "--dr, --density-ratio": [[1, "dr-density-ratio"]], "--fc-calc, --fc-calculator (FC_CALCULATOR)": [[4, "fc-calc-fc-calculator-fc-calculator"]], "--fc-calc-opt, --fc-calculator-options (FC_CALCULATOR_OPTIONS)": [[4, "fc-calc-opt-fc-calculator-options-fc-calculator-options"]], "--fc2 (READ_FC2 = .TRUE.)": [[4, "fc2-read-fc2-true"]], "--fc3 (READ_FC3 = .TRUE.)": [[4, "fc3-read-fc3-true"]], "--fs2f2 or --force-sets-to-forces-fc2 (command option only)": [[4, "fs2f2-or-force-sets-to-forces-fc2-command-option-only"]], "--full-pp (FULL_PP = .TRUE.)": [[4, "full-pp-full-pp-true"]], "--ga (GRID_ADDRESSES)": [[4, "ga-grid-addresses"]], "--gamma": [[1, "gamma"]], "--gp (GRID_POINTS)": [[4, "gp-grid-points"]], "--gruneisen (GRUNEISEN = .TRUE.)": [[4, "gruneisen-gruneisen-true"]], "--gv": [[1, "gv"]], "--gv-norm": [[1, "gv-norm"]], "--hdf5-compression (command option only)": [[4, "hdf5-compression-command-option-only"]], "--io (command option only)": [[4, "io-command-option-only"]], "--ise (IMAG_SELF_ENERGY = .TRUE.)": [[4, "ise-imag-self-energy-true"]], "--isotope (ISOTOPE =.TRUE.)": [[4, "isotope-isotope-true"]], "--jdos (JOINT_DOS = .TRUE.)": [[4, "jdos-joint-dos-true"]], "--lbte (LBTE = .TRUE.)": [[4, "lbte-lbte-true"]], "--magmom (MAGMOM)": [[4, "magmom-magmom"]], "--mass (MASS)": [[4, "mass-mass"]], "--mass-variances or --mv (MASS_VARIANCES)": [[4, "mass-variances-or-mv-mass-variances"]], "--mesh (MESH or MESH_NUMBERS)": [[4, "mesh-mesh-or-mesh-numbers"]], "--mfp": [[1, "mfp"]], "--nac (NAC = .TRUE.)": [[4, "nac-nac-true"]], "--nbins": [[1, "nbins"]], "--nsp": [[1, "nsp"]], "--nu (N_U = .TRUE.)": [[4, "nu-n-u-true"]], "--num-freq-points, --freq-pitch (NUM_FREQUENCY_POINTS)": [[4, "num-freq-points-freq-pitch-num-frequency-points"]], "--pa, --primitive-axes (PRIMITIVE_AXES)": [[4, "pa-primitive-axes-primitive-axes"]], "--pqj": [[1, "pqj"]], "--q-direction (Q_DIRECTION)": [[4, "q-direction-q-direction"]], "--qe (CALCULATOR = QE)": [[4, "qe-calculator-qe"]], "--rd (RANDOM_DISPLACEMENTS), --rd-fc2 (RANDOM_DISPLACEMENTS_FC2) and --random-seed (RANDOM_SEED)": [[4, "rd-random-displacements-rd-fc2-random-displacements-fc2-and-random-seed-random-seed"]], "--read-gamma (READ_GAMMA = .TRUE.)": [[4, "read-gamma-read-gamma-true"]], "--read-phonon (READ_PHONON = .TRUE.)": [[4, "read-phonon-read-phonon-true"]], "--rse (REAL_SELF_ENERGY = .TRUE.)": [[4, "rse-real-self-energy-true"]], "--scattering-event-class (SCATTERING_EVENT_CLASS)": [[4, "scattering-event-class-scattering-event-class"]], "--sigma (SIGMA)": [[4, "sigma-sigma"]], "--sigma-cutoff (SIGMA_CUTOFF_WIDTH)": [[4, "sigma-cutoff-sigma-cutoff-width"]], "--sp or --save-params": [[4, "sp-or-save-params"]], "--spf (SPECTRAL_FUNCTION = .TRUE.)": [[4, "spf-spectral-function-true"]], "--stp (command option only)": [[4, "stp-command-option-only"]], "--sym-fc (FC_SYMMETRY = .TRUE.)": [[4, "sym-fc-fc-symmetry-true"]], "--symfc and --alm": [[4, "symfc-and-alm"]], "--tau": [[1, "tau"]], "--temperature": [[1, "temperature"], [1, "id2"]], "--thm (TETRAHEDRON = .TRUE.)": [[4, "thm-tetrahedron-true"]], "--tmax, --tmin, --tstep (TMAX, TMIN, TSTEP)": [[4, "tmax-tmin-tstep-tmax-tmin-tstep"]], "--trace": [[1, "trace"]], "--ts (TEMPERATURES): Temperatures": [[4, "ts-temperatures-temperatures"]], "--turbomole (CALCULATOR = TURBOMOLE)": [[4, "turbomole-calculator-turbomole"]], "--wgp (command option only)": [[4, "wgp-command-option-only"]], "--wigner": [[4, "wigner"]], "--write-gamma (WRITE_GAMMA = .TRUE.)": [[4, "write-gamma-write-gamma-true"]], "--write-gamma-detail (WRITE_GAMMA_DETAIL = .TRUE.)": [[4, "write-gamma-detail-write-gamma-detail-true"]], "--write-phonon (WRITE_PHONON = .TRUE.)": [[4, "write-phonon-write-phonon-true"]], "--write-pp (WRITE_PP = .TRUE.) and --read-pp (READ_PP = .TRUE.)": [[4, "write-pp-write-pp-true-and-read-pp-read-pp-true"]], "--xmax and --ymax": [[1, "xmax-and-ymax"]], "--zmax": [[1, "zmax"]], "-c (CELL_FILENAME)": [[4, "c-cell-filename"]], "-d (CREATE_DISPLACEMENTS = .TRUE.)": [[4, "d-create-displacements-true"]], "-i (command option only)": [[4, "i-command-option-only"]], "-o (command option only)": [[4, "o-command-option-only"]], "3x3 integer matrix (experimental)": [[15, "x3-integer-matrix-experimental"]], "A convenient script": [[25, "a-convenient-script"]], "A practical way to check lattice thermal conductivity result": [[20, "a-practical-way-to-check-lattice-thermal-conductivity-result"]], "A script extract supercell IDs from phono3py_disp.yaml": [[6, "a-script-extract-supercell-ids-from-phono3py-disp-yaml"]], "Acknowledgements": [[11, "acknowledgements"]], "AlN-LDA": [[6, "aln-lda"]], "Apr-16-2016: version 1.10.7": [[2, "apr-16-2016-version-1-10-7"]], "Apr-18-2019: Version 1.17.0": [[2, "apr-18-2019-version-1-17-0"]], "Apr-19-2024: Version 3.0.0": [[2, "apr-19-2024-version-3-0-0"]], "Apr-20-2024: Version 3.0.1": [[2, "apr-20-2024-version-3-0-1"]], "Apr-21-2024: Version 3.0.2": [[2, "apr-21-2024-version-3-0-2"]], "Apr-24-2016: version 1.10.9": [[2, "apr-24-2016-version-1-10-9"]], "Apr-3-2023: Version 2.6.0": [[2, "apr-3-2023-version-2-6-0"]], "Apr-9-2022: Version 2.3.0": [[2, "apr-9-2022-version-2-3-0"]], "Aug-12-2015: version 0.9.12": [[2, "aug-12-2015-version-0-9-12"]], "Auxiliary tools": [[1, null]], "Averaged phonon-phonon interaction strength": [[19, "averaged-phonon-phonon-interaction-strength"]], "Brillouin zone integration": [[4, "brillouin-zone-integration"]], "Brillouin zone summation": [[20, "brillouin-zone-summation"]], "Build with automatic search of library configurations by cmake": [[13, "build-with-automatic-search-of-library-configurations-by-cmake"]], "CRYSTAL & phono3py calculation": [[5, null]], "Calculation of force constants": [[18, "calculation-of-force-constants"]], "Calculator interface": [[4, "calculator-interface"]], "Calculator specific behaviors": [[14, "calculator-specific-behaviors"]], "Change Log": [[2, null]], "Changes in version 0.6.0": [[2, "changes-in-version-0-6-0"]], "Changes in version 0.7.1": [[2, "changes-in-version-0-7-1"]], "Changes in version 0.7.2": [[2, "changes-in-version-0-7-2"]], "Changes in version 0.7.6": [[2, "changes-in-version-0-7-6"]], "Changes in version 0.8.0": [[2, "changes-in-version-0-8-0"]], "Changes in version 0.8.10": [[2, "changes-in-version-0-8-10"]], "Changes in version 0.8.11": [[2, "changes-in-version-0-8-11"]], "Changes in version 0.8.2": [[2, "changes-in-version-0-8-2"]], "Changes in version 0.9.4": [[2, "changes-in-version-0-9-4"]], "Changes in version 0.9.5": [[2, "changes-in-version-0-9-5"]], "Changes in version 0.9.6": [[2, "changes-in-version-0-9-6"]], "Changes in version 0.9.7": [[2, "changes-in-version-0-9-7"]], "Citation of direct solution of LBTE (--lbte)": [[3, "citation-of-direct-solution-of-lbte-lbte"]], "Citation of phono3py": [[3, "citation-of-phono3py"]], "Citation of solution of the Wigner transport equation (--wigner)": [[3, "citation-of-solution-of-the-wigner-transport-equation-wigner"]], "Command options / Setting tags": [[4, null]], "Computational cost": [[23, "computational-cost"]], "Contributors": [[11, "contributors"]], "Create FORCES_FC3 and FORCES_FC2": [[18, "create-forces-fc3-and-forces-fc2"]], "Create phono3py_params.yaml": [[18, "create-phono3py-params-yaml"]], "Creating supercells with displacements": [[6, "creating-supercells-with-displacements"]], "Crystal structure": [[15, "crystal-structure"]], "Cutoff pair-distance for fc3 calculation": [[18, "cutoff-pair-distance-for-fc3-calculation"]], "Cutoff parameter of pseudo inversion": [[7, "cutoff-parameter-of-pseudo-inversion"]], "Cutoff-pair displacements": [[19, "cutoff-pair-displacements"]], "Dec-14-2016: version 1.11.7": [[2, "dec-14-2016-version-1-11-7"]], "Dec-22-2019: Version 1.18.2": [[2, "dec-22-2019-version-1-18-2"]], "Dec-25-2023: Version 2.9.0": [[2, "dec-25-2023-version-2-9-0"]], "Dec-26-2023: Version 2.9.1": [[2, "dec-26-2023-version-2-9-1"]], "Dec-29-2022: Version 2.5.0": [[2, "dec-29-2022-version-2-5-0"]], "Dec-31-2022: Version 2.5.1": [[2, "dec-31-2022-version-2-5-1"]], "Dec-4-2023: Version 2.8.0": [[2, "dec-4-2023-version-2-8-0"]], "Default displacement distance created": [[14, "default-displacement-distance-created"]], "Default unit cell file name": [[14, "default-unit-cell-file-name"]], "Details of kappa-*.hdf5 file": [[10, "details-of-kappa-hdf5-file"]], "Diagonalization solver interfaces": [[7, "diagonalization-solver-interfaces"]], "Direct solution of linearized phonon Boltzmann equation": [[7, null]], "Displacement creation": [[4, "displacement-creation"]], "Displacement dataset generation": [[15, "displacement-dataset-generation"]], "Displacement distance of atoms": [[20, "displacement-distance-of-atoms"]], "Distribution of collision matrix": [[7, "distribution-of-collision-matrix"]], "Distribution of phonon-phonon interaction strengths": [[7, "distribution-of-phonon-phonon-interaction-strengths"]], "Documentation": [[11, "documentation"]], "Examples": [[8, null]], "External tools": [[9, null]], "FORCES_FC2": [[12, "forces-fc2"]], "FORCES_FC3": [[12, "forces-fc3"]], "Feb-1-2018: version 1.12.7": [[2, "feb-1-2018-version-1-12-7"]], "Feb-14-2022: Version 2.2.0": [[2, "feb-14-2022-version-2-2-0"]], "Feb-2-2024: Version 2.9.2": [[2, "feb-2-2024-version-2-9-2"]], "Feb-21-2021: Version 1.22.1": [[2, "feb-21-2021-version-1-22-1"]], "Feb-21-2021: Version 1.22.2": [[2, "feb-21-2021-version-1-22-2"]], "Feb-9-2017: version 1.11.9": [[2, "feb-9-2017-version-1-11-9"]], "File I/O": [[4, "file-i-o"]], "File format compatibility with phonopy": [[20, "file-format-compatibility-with-phonopy"]], "Force constants": [[4, "force-constants"]], "Force constants calculation": [[15, "force-constants-calculation"]], "Force constants calculation with cutoff pair-distance": [[6, null]], "Force constants calculation with randan displacements of atoms": [[18, null]], "General options": [[1, "general-options"]], "Generation of random directional displacements": [[18, "generation-of-random-directional-displacements"]], "HDF5 files": [[12, "hdf5-files"]], "How to cite phono3py": [[3, null]], "How to compile": [[0, "how-to-compile"]], "How to do it": [[25, "how-to-do-it"]], "How to know grid point index number corresponding to grid address": [[10, "how-to-know-grid-point-index-number-corresponding-to-grid-address"]], "How to publish": [[0, "how-to-publish"]], "How to read the results stored in hdf5 files": [[10, null]], "How to use": [[7, "how-to-use"], [23, "how-to-use"]], "How to use HDF5 python library": [[10, "how-to-use-hdf5-python-library"]], "How to use phono3py-kaccum": [[1, "how-to-use-phono3py-kaccum"]], "How to write phono3py documentation": [[0, null]], "Imaginary and real parts of self energy": [[4, "imaginary-and-real-parts-of-self-energy"]], "Importance of numerical quality of force constants": [[20, "importance-of-numerical-quality-of-force-constants"]], "Input / Output files": [[12, null]], "Input cell file name": [[4, "input-cell-file-name"]], "Installation": [[13, null]], "Installation from source code": [[13, "installation-from-source-code"]], "Installation instruction of latest development version of phono3py": [[13, "installation-instruction-of-latest-development-version-of-phono3py"]], "Installation of LAPACKE": [[13, "installation-of-lapacke"]], "Installation using conda": [[13, "installation-using-conda"]], "Interfaces to calculators": [[14, null]], "Intermediate text files": [[12, "intermediate-text-files"]], "Jan-29-2021: Version 1.22.0": [[2, "jan-29-2021-version-1-22-0"]], "Joint density of states (JDOS) and weighted-JDOS": [[4, "joint-density-of-states-jdos-and-weighted-jdos"]], "Jul-22-2021: Version 2.0.0": [[2, "jul-22-2021-version-2-0-0"]], "Jul-22-2024: Version 3.3.2": [[2, "jul-22-2024-version-3-3-2"]], "Jul-22-2024: Version 3.3.3": [[2, "jul-22-2024-version-3-3-3"]], "Jul-3-2023: Version 2.7.0": [[2, "jul-3-2023-version-2-7-0"]], "Jul-8-2024: Version 3.3.0": [[2, "jul-8-2024-version-3-3-0"]], "Jul-8-2024: Version 3.3.1": [[2, "jul-8-2024-version-3-3-1"]], "Jun-17-2015: version 0.9.10": [[2, "jun-17-2015-version-0-9-10"]], "Jun-18-2015: version 0.9.10.1": [[2, "jun-18-2015-version-0-9-10-1"]], "Jun-18-2017: version 1.11.13": [[2, "jun-18-2017-version-1-11-13"]], "Jun-19-2024: Version 3.1.2": [[2, "jun-19-2024-version-3-1-2"]], "Jun-29-2024: Version 3.2.0": [[2, "jun-29-2024-version-3-2-0"]], "Jun-7-2024: Version 3.0.4": [[2, "jun-7-2024-version-3-0-4"]], "Jun-7-2024: Version 3.1.0": [[2, "jun-7-2024-version-3-1-0"]], "Jun-7-2024: Version 3.1.1": [[2, "jun-7-2024-version-3-1-1"]], "June-20-2018: version 1.13.3": [[2, "june-20-2018-version-1-13-3"]], "Kinetic Collective Model": [[9, "kinetic-collective-model"]], "Lattice thermal conductivity calculation": [[15, "lattice-thermal-conductivity-calculation"]], "License": [[11, "license"]], "Mailing list": [[11, "mailing-list"]], "Making FORCES_FC3": [[6, "making-forces-fc3"]], "Mar-15-2016: version 1.10.5": [[2, "mar-15-2016-version-1-10-5"]], "Mar-16-2018: version 1.12.9": [[2, "mar-16-2018-version-1-12-9"]], "Mar-17-2021: Version 1.22.3": [[2, "mar-17-2021-version-1-22-3"]], "Mar-2-2020: Version 1.19.0": [[2, "mar-2-2020-version-1-19-0"]], "Mar-20-2024: Version 2.10.0": [[2, "mar-20-2024-version-2-10-0"]], "Mar-24-2019: Version 1.16.0": [[2, "mar-24-2019-version-1-16-0"]], "Mar-3-2020: Version 1.19.1": [[2, "mar-3-2020-version-1-19-1"]], "Mar-3-2020: Version 1.20.0": [[2, "mar-3-2020-version-1-20-0"]], "Mar-31-2017: version 1.11.11": [[2, "mar-31-2017-version-1-11-11"]], "May-17-2018: version 1.13.1": [[2, "may-17-2018-version-1-13-1"]], "May-28-2022: Version 2.3.2": [[2, "may-28-2022-version-2-3-2"]], "May-4-2024: Version 3.0.3": [[2, "may-4-2024-version-3-0-3"]], "May-7-2022: Version 2.3.1": [[2, "may-7-2022-version-2-3-1"]], "Memory usage": [[7, "memory-usage"]], "Methods to solve phonon Boltzmann equation and Wigner formulation": [[4, "methods-to-solve-phonon-boltzmann-equation-and-wigner-formulation"]], "Mode-Gruneisen parameter from 3rd order force constants": [[4, "mode-gruneisen-parameter-from-3rd-order-force-constants"]], "Multithreading and its controlling by C macro": [[13, "multithreading-and-its-controlling-by-c-macro"]], "Netlib LAPACKE provided by Ubuntu package manager (with single-thread BLAS)": [[13, "netlib-lapacke-provided-by-ubuntu-package-manager-with-single-thread-blas"]], "Non-analytical term correction": [[4, "non-analytical-term-correction"]], "Non-analytical term correction parameters": [[15, "non-analytical-term-correction-parameters"]], "Nov-17-2017: version 1.12.3": [[2, "nov-17-2017-version-1-12-3"]], "Nov-22-2017: version 1.12.5": [[2, "nov-22-2017-version-1-12-5"]], "Nov-22-2018: version 1.14.3": [[2, "nov-22-2018-version-1-14-3"]], "Nov-27-2016: version 1.11.5": [[2, "nov-27-2016-version-1-11-5"]], "Nov-3-2021: Version 2.1.0": [[2, "nov-3-2021-version-2-1-0"]], "Oct-10-2015: version 0.9.14": [[2, "oct-10-2015-version-0-9-14"]], "Oct-17-2019: Version 1.18.1": [[2, "oct-17-2019-version-1-18-1"]], "Oct-5-2022: Version 2.4.0": [[2, "oct-5-2022-version-2-4-0"]], "Oct-6-2022: Version 2.4.1": [[2, "oct-6-2022-version-2-4-1"]], "Oct-9-2019: Version 1.18.0": [[2, "oct-9-2019-version-1-18-0"]], "One value": [[15, "one-value"]], "OpenBLAS or MKL linked scipy and numpy": [[7, "openblas-or-mkl-linked-scipy-and-numpy"]], "OpenBLAS or MKL via LAPACKE": [[7, "openblas-or-mkl-via-lapacke"]], "OpenBLAS provided by conda": [[13, "openblas-provided-by-conda"]], "OpenMP library of gcc": [[13, "openmp-library-of-gcc"]], "Options": [[1, "options"]], "Options for scalar properties": [[1, "options-for-scalar-properties"]], "Options for symfc": [[4, "options-for-symfc"]], "Options for tensor properties": [[1, "options-for-tensor-properties"]], "Phono3py API": [[15, null]], "Phono3py class": [[15, "phono3py-class"]], "Phono3py-Power-Tools": [[9, "phono3py-power-tools"]], "Phonon-phonon interaction calculation": [[15, "phonon-phonon-interaction-calculation"]], "Physical unit": [[14, "physical-unit"]], "Quantum ESPRESSO (pw) & phono3py calculation": [[17, null]], "Reciprocal space sampling mesh and grid points, and band indices": [[4, "reciprocal-space-sampling-mesh-and-grid-points-and-band-indices"]], "References": [[19, null]], "Regular grid for q-point sampling": [[15, "regular-grid-for-q-point-sampling"]], "Related setting tags": [[18, "related-setting-tags"]], "Reviews": [[19, 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4, "self": [4, 19], "sep": 2, "set": [4, 18], "shoot": 13, "si": 6, "sigma": 4, "sigma_cutoff_width": 4, "simpl": 12, "singl": 13, "solut": [3, 7, 23], "solv": 4, "solver": 7, "sourc": [0, 13], "sp": 4, "space": 4, "special": 6, "specif": 14, "spectral": [4, 19], "spectral_funct": 4, "spf": 4, "state": [4, 19], "store": 10, "stp": 4, "strength": [7, 19], "structur": 15, "summat": 20, "supercel": [4, 6, 15], "sym": 4, "symfc": 4, "t": 4, "tag": [4, 18], "tau": 1, "temperatur": [1, 4, 10], "tensor": 1, "term": [4, 15], "test": 6, "tetrahedron": 4, "text": 12, "thermal": [1, 15, 20], "thm": 4, "thread": 13, "three": 15, "tip": 20, "tmax": 4, "tmin": 4, "tool": [1, 9], "trace": 1, "transport": [3, 23], "treatment": 23, "troubl": 13, "true": 4, "tstep": 4, "turbomol": [4, 21], "ubuntu": 13, "unit": 14, "us": [1, 7, 10, 13, 15, 23], "usag": [6, 7], "use_ave_pp": 4, "util": 4, "valu": 15, "varianc": 4, "vasp": 22, "version": [2, 13], "via": 7, "wai": 20, "weight": [4, 10], "welcom": 11, "wgp": 4, "what": 6, "wigner": [3, 4, 23], "work": 7, "workflow": [5, 17, 21, 22, 24], "workload": 25, "write": [0, 4], "write_gamma": 4, "write_gamma_detail": 4, "write_phonon": 4, "write_pp": 4, "wte": 23, "xmax": 1, "yaml": [6, 12, 18], "ymax": 1, "zmax": 1, "zone": [4, 20]}})
\ No newline at end of file
+Search.setIndex({"alltitles": {"--alm": [[4, "alm"]], "--amplitude (DISPLACEMENT_DISTANCE)": [[4, "amplitude-displacement-distance"]], "--ave-pp (USE_AVE_PP = .TRUE.)": [[4, "ave-pp-use-ave-pp-true"]], "--average": [[1, "average"]], "--bi (BAND_INDICES)": [[4, "bi-band-indices"]], "--boundary-mfp, --bmfp (BOUNDARY_MFP)": [[4, "boundary-mfp-bmfp-boundary-mfp"]], "--br (BTERTA = .TRUE.)": [[4, "br-bterta-true"]], "--cf2 (command option only)": [[4, "cf2-command-option-only"]], "--cf3 (command option only)": [[4, "cf3-command-option-only"]], "--cf3-file (command option only)": [[4, "cf3-file-command-option-only"]], "--cfc or --compact-fc (COMPACT_FC = .TRUE.)": [[4, "cfc-or-compact-fc-compact-fc-true"]], "--cfs or --create-force-sets (command option only)": [[4, "cfs-or-create-force-sets-command-option-only"]], "--cfz (command option only)": [[4, "cfz-command-option-only"]], "--cmap": [[1, "cmap"]], "--const-ave-pp (CONST_AVE_PP = .TRUE.)": [[4, "const-ave-pp-const-ave-pp-true"]], "--crystal (CALCULATOR = CRYSTAL)": [[4, "crystal-calculator-crystal"]], "--cutoff, --fmax": [[1, "cutoff-fmax"]], "--cutoff-fc3 or --cutoff-fc3-distance (CUTOFF_FC3_DISTANCE)": [[4, "cutoff-fc3-or-cutoff-fc3-distance-cutoff-fc3-distance"]], "--cutoff-pair or --cutoff-pair-distance (CUTOFF_PAIR_DISTANCE)": [[4, "cutoff-pair-or-cutoff-pair-distance-cutoff-pair-distance"]], "--cv": [[1, "cv"]], "--dim (DIM)": [[4, "dim-dim"]], "--dim-fc2 (DIM_FC2)": [[4, "dim-fc2-dim-fc2"]], "--dos": [[1, "dos"]], "--dr, --density-ratio": [[1, "dr-density-ratio"]], "--fc-calc, --fc-calculator (FC_CALCULATOR)": [[4, "fc-calc-fc-calculator-fc-calculator"]], "--fc-calc-opt, --fc-calculator-options (FC_CALCULATOR_OPTIONS)": [[4, "fc-calc-opt-fc-calculator-options-fc-calculator-options"]], "--fc-symmetry (FC_SYMMETRY = .TRUE.)": [[4, "fc-symmetry-fc-symmetry-true"]], "--fc2 (READ_FC2 = .TRUE.)": [[4, "fc2-read-fc2-true"]], "--fc3 (READ_FC3 = .TRUE.)": [[4, "fc3-read-fc3-true"]], "--fs2f2 or --force-sets-to-forces-fc2 (command option only)": [[4, "fs2f2-or-force-sets-to-forces-fc2-command-option-only"]], "--full-pp (FULL_PP = .TRUE.)": [[4, "full-pp-full-pp-true"]], "--ga (GRID_ADDRESSES)": [[4, "ga-grid-addresses"]], "--gamma": [[1, "gamma"]], "--gp (GRID_POINTS)": [[4, "gp-grid-points"]], "--gruneisen (GRUNEISEN = .TRUE.)": [[4, "gruneisen-gruneisen-true"]], "--gv": [[1, "gv"]], "--gv-norm": [[1, "gv-norm"]], "--hdf5-compression (command option only)": [[4, "hdf5-compression-command-option-only"]], "--io (command option only)": [[4, "io-command-option-only"]], "--ise (IMAG_SELF_ENERGY = .TRUE.)": [[4, "ise-imag-self-energy-true"]], "--isotope (ISOTOPE =.TRUE.)": [[4, "isotope-isotope-true"]], "--jdos (JOINT_DOS = .TRUE.)": [[4, "jdos-joint-dos-true"]], "--lbte (LBTE = .TRUE.)": [[4, "lbte-lbte-true"]], "--magmom (MAGMOM)": [[4, "magmom-magmom"]], "--mass (MASS)": [[4, "mass-mass"]], "--mass-variances or --mv (MASS_VARIANCES)": [[4, "mass-variances-or-mv-mass-variances"]], "--mesh (MESH or MESH_NUMBERS)": [[4, "mesh-mesh-or-mesh-numbers"]], "--mfp": [[1, "mfp"]], "--nac (NAC = .TRUE.)": [[4, "nac-nac-true"]], "--nbins": [[1, "nbins"]], "--nsp": [[1, "nsp"]], "--nu (N_U = .TRUE.)": [[4, "nu-n-u-true"]], "--num-freq-points, --freq-pitch (NUM_FREQUENCY_POINTS)": [[4, "num-freq-points-freq-pitch-num-frequency-points"]], "--pa, --primitive-axes (PRIMITIVE_AXES)": [[4, "pa-primitive-axes-primitive-axes"]], "--pqj": [[1, "pqj"]], "--q-direction (Q_DIRECTION)": [[4, "q-direction-q-direction"]], "--qe (CALCULATOR = QE)": [[4, "qe-calculator-qe"]], "--rd (RANDOM_DISPLACEMENTS), --rd-fc2 (RANDOM_DISPLACEMENTS_FC2) and --random-seed (RANDOM_SEED)": [[4, "rd-random-displacements-rd-fc2-random-displacements-fc2-and-random-seed-random-seed"]], "--read-gamma (READ_GAMMA = .TRUE.)": [[4, "read-gamma-read-gamma-true"]], "--read-phonon (READ_PHONON = .TRUE.)": [[4, "read-phonon-read-phonon-true"]], "--rse (REAL_SELF_ENERGY = .TRUE.)": [[4, "rse-real-self-energy-true"]], "--scattering-event-class (SCATTERING_EVENT_CLASS)": [[4, "scattering-event-class-scattering-event-class"]], "--sigma (SIGMA)": [[4, "sigma-sigma"]], "--sigma-cutoff (SIGMA_CUTOFF_WIDTH)": [[4, "sigma-cutoff-sigma-cutoff-width"]], "--sp or --save-params": [[4, "sp-or-save-params"]], "--spf (SPECTRAL_FUNCTION = .TRUE.)": [[4, "spf-spectral-function-true"]], "--stp (command option only)": [[4, "stp-command-option-only"]], "--symfc and --alm": [[4, "symfc-and-alm"]], "--tau": [[1, "tau"]], "--temperature": [[1, "temperature"], [1, "id2"]], "--thm (TETRAHEDRON = .TRUE.)": [[4, "thm-tetrahedron-true"]], "--tmax, --tmin, --tstep (TMAX, TMIN, TSTEP)": [[4, "tmax-tmin-tstep-tmax-tmin-tstep"]], "--trace": [[1, "trace"]], "--ts (TEMPERATURES): Temperatures": [[4, "ts-temperatures-temperatures"]], "--turbomole (CALCULATOR = TURBOMOLE)": [[4, "turbomole-calculator-turbomole"]], "--wgp (command option only)": [[4, "wgp-command-option-only"]], "--wigner": [[4, "wigner"]], "--write-gamma (WRITE_GAMMA = .TRUE.)": [[4, "write-gamma-write-gamma-true"]], "--write-gamma-detail (WRITE_GAMMA_DETAIL = .TRUE.)": [[4, "write-gamma-detail-write-gamma-detail-true"]], "--write-phonon (WRITE_PHONON = .TRUE.)": [[4, "write-phonon-write-phonon-true"]], "--write-pp (WRITE_PP = .TRUE.) and --read-pp (READ_PP = .TRUE.)": [[4, "write-pp-write-pp-true-and-read-pp-read-pp-true"]], "--xmax and --ymax": [[1, "xmax-and-ymax"]], "--zmax": [[1, "zmax"]], "-c (CELL_FILENAME)": [[4, "c-cell-filename"]], "-d (CREATE_DISPLACEMENTS = .TRUE.)": [[4, "d-create-displacements-true"]], "-i (command option only)": [[4, "i-command-option-only"]], "-o (command option only)": [[4, "o-command-option-only"]], "3x3 integer matrix (experimental)": [[15, "x3-integer-matrix-experimental"]], "A convenient script": [[25, "a-convenient-script"]], "A practical way to check lattice thermal conductivity result": [[20, "a-practical-way-to-check-lattice-thermal-conductivity-result"]], "A script extract supercell IDs from phono3py_disp.yaml": [[6, "a-script-extract-supercell-ids-from-phono3py-disp-yaml"]], "Acknowledgements": [[11, "acknowledgements"]], "AlN-LDA": [[6, "aln-lda"]], "Apr-16-2016: version 1.10.7": [[2, "apr-16-2016-version-1-10-7"]], "Apr-18-2019: Version 1.17.0": [[2, "apr-18-2019-version-1-17-0"]], "Apr-19-2024: Version 3.0.0": [[2, "apr-19-2024-version-3-0-0"]], "Apr-20-2024: Version 3.0.1": [[2, "apr-20-2024-version-3-0-1"]], "Apr-21-2024: Version 3.0.2": [[2, "apr-21-2024-version-3-0-2"]], "Apr-24-2016: version 1.10.9": [[2, "apr-24-2016-version-1-10-9"]], "Apr-3-2023: Version 2.6.0": [[2, "apr-3-2023-version-2-6-0"]], "Apr-9-2022: Version 2.3.0": [[2, "apr-9-2022-version-2-3-0"]], "Aug-12-2015: version 0.9.12": [[2, "aug-12-2015-version-0-9-12"]], "Aug-6-2024: Version 3.3.3": [[2, "aug-6-2024-version-3-3-3"]], "Aug-8-2024: Version 3.3.4": [[2, "aug-8-2024-version-3-3-4"]], "Auxiliary tools": [[1, null]], "Averaged phonon-phonon interaction strength": [[19, "averaged-phonon-phonon-interaction-strength"]], "Brillouin zone integration": [[4, "brillouin-zone-integration"]], "Brillouin zone summation": [[20, "brillouin-zone-summation"]], "Build with automatic search of library configurations by cmake": [[13, "build-with-automatic-search-of-library-configurations-by-cmake"]], "CRYSTAL & phono3py calculation": [[5, null]], "Calculation of force constants": [[18, "calculation-of-force-constants"]], "Calculator interface": [[4, "calculator-interface"]], "Calculator specific behaviors": [[14, "calculator-specific-behaviors"]], "Change Log": [[2, null]], "Changes in version 0.6.0": [[2, "changes-in-version-0-6-0"]], "Changes in version 0.7.1": [[2, "changes-in-version-0-7-1"]], "Changes in version 0.7.2": [[2, "changes-in-version-0-7-2"]], "Changes in version 0.7.6": [[2, "changes-in-version-0-7-6"]], "Changes in version 0.8.0": [[2, "changes-in-version-0-8-0"]], "Changes in version 0.8.10": [[2, "changes-in-version-0-8-10"]], "Changes in version 0.8.11": [[2, "changes-in-version-0-8-11"]], "Changes in version 0.8.2": [[2, "changes-in-version-0-8-2"]], "Changes in version 0.9.4": [[2, "changes-in-version-0-9-4"]], "Changes in version 0.9.5": [[2, "changes-in-version-0-9-5"]], "Changes in version 0.9.6": [[2, "changes-in-version-0-9-6"]], "Changes in version 0.9.7": [[2, "changes-in-version-0-9-7"]], "Citation of direct solution of LBTE (--lbte)": [[3, "citation-of-direct-solution-of-lbte-lbte"]], "Citation of phono3py": [[3, "citation-of-phono3py"]], "Citation of solution of the Wigner transport equation (--wigner)": [[3, "citation-of-solution-of-the-wigner-transport-equation-wigner"]], "Command options / Setting tags": [[4, null]], "Computational cost": [[23, "computational-cost"]], "Contributors": [[11, "contributors"]], "Create FORCES_FC3 and FORCES_FC2": [[18, "create-forces-fc3-and-forces-fc2"]], "Create phono3py_params.yaml": [[18, "create-phono3py-params-yaml"]], "Creating supercells with displacements": [[6, "creating-supercells-with-displacements"]], "Crystal structure": [[15, "crystal-structure"]], "Cutoff pair-distance for fc3 calculation": [[18, "cutoff-pair-distance-for-fc3-calculation"]], "Cutoff parameter of pseudo inversion": [[7, "cutoff-parameter-of-pseudo-inversion"]], "Cutoff-pair displacements": [[19, "cutoff-pair-displacements"]], "Dec-14-2016: version 1.11.7": [[2, "dec-14-2016-version-1-11-7"]], "Dec-22-2019: Version 1.18.2": [[2, "dec-22-2019-version-1-18-2"]], "Dec-25-2023: Version 2.9.0": [[2, "dec-25-2023-version-2-9-0"]], "Dec-26-2023: Version 2.9.1": [[2, "dec-26-2023-version-2-9-1"]], "Dec-29-2022: Version 2.5.0": [[2, "dec-29-2022-version-2-5-0"]], "Dec-31-2022: Version 2.5.1": [[2, "dec-31-2022-version-2-5-1"]], "Dec-4-2023: Version 2.8.0": [[2, "dec-4-2023-version-2-8-0"]], "Default displacement distance created": [[14, "default-displacement-distance-created"]], "Default unit cell file name": [[14, "default-unit-cell-file-name"]], "Details of kappa-*.hdf5 file": [[10, "details-of-kappa-hdf5-file"]], "Diagonalization solver interfaces": [[7, "diagonalization-solver-interfaces"]], "Direct solution of linearized phonon Boltzmann equation": [[7, null]], "Displacement creation": [[4, "displacement-creation"]], "Displacement dataset generation": [[15, "displacement-dataset-generation"]], "Displacement distance of atoms": [[20, "displacement-distance-of-atoms"]], "Distribution of collision matrix": [[7, "distribution-of-collision-matrix"]], "Distribution of phonon-phonon interaction strengths": [[7, "distribution-of-phonon-phonon-interaction-strengths"]], "Documentation": [[11, "documentation"]], "Examples": [[8, null]], "External tools": [[9, null]], "FORCES_FC2": [[12, "forces-fc2"]], "FORCES_FC3": [[12, "forces-fc3"]], "Feb-1-2018: version 1.12.7": [[2, "feb-1-2018-version-1-12-7"]], "Feb-14-2022: Version 2.2.0": [[2, "feb-14-2022-version-2-2-0"]], "Feb-2-2024: Version 2.9.2": [[2, "feb-2-2024-version-2-9-2"]], "Feb-21-2021: Version 1.22.1": [[2, "feb-21-2021-version-1-22-1"]], "Feb-21-2021: Version 1.22.2": [[2, "feb-21-2021-version-1-22-2"]], "Feb-9-2017: version 1.11.9": [[2, "feb-9-2017-version-1-11-9"]], "File I/O": [[4, "file-i-o"]], "File format compatibility with phonopy": [[20, "file-format-compatibility-with-phonopy"]], "Force constants": [[4, "force-constants"]], "Force constants calculation": [[15, "force-constants-calculation"]], "Force constants calculation with cutoff pair-distance": [[6, null]], "Force constants calculation with randan displacements of atoms": [[18, null]], "General options": [[1, "general-options"]], "Generation of random directional displacements": [[18, "generation-of-random-directional-displacements"]], "HDF5 files": [[12, "hdf5-files"]], "How to cite phono3py": [[3, null]], "How to compile": [[0, "how-to-compile"]], "How to do it": [[25, "how-to-do-it"]], "How to know grid point index number corresponding to grid address": [[10, "how-to-know-grid-point-index-number-corresponding-to-grid-address"]], "How to publish": [[0, "how-to-publish"]], "How to read the results stored in hdf5 files": [[10, null]], "How to use": [[7, "how-to-use"], [23, "how-to-use"]], "How to use HDF5 python library": [[10, "how-to-use-hdf5-python-library"]], "How to use phono3py-kaccum": [[1, "how-to-use-phono3py-kaccum"]], "How to write phono3py documentation": [[0, null]], "Imaginary and real parts of self energy": [[4, "imaginary-and-real-parts-of-self-energy"]], "Importance of numerical quality of force constants": [[20, "importance-of-numerical-quality-of-force-constants"]], "Input / Output files": [[12, null]], "Input cell file name": [[4, "input-cell-file-name"]], "Installation": [[13, null]], "Installation from source code": [[13, "installation-from-source-code"]], "Installation instruction of latest development version of phono3py": [[13, "installation-instruction-of-latest-development-version-of-phono3py"]], "Installation of LAPACKE": [[13, "installation-of-lapacke"]], "Installation using conda": [[13, "installation-using-conda"]], "Interfaces to calculators": [[14, null]], "Intermediate text files": [[12, "intermediate-text-files"]], "Jan-29-2021: Version 1.22.0": [[2, "jan-29-2021-version-1-22-0"]], "Joint density of states (JDOS) and weighted-JDOS": [[4, "joint-density-of-states-jdos-and-weighted-jdos"]], "Jul-22-2021: Version 2.0.0": [[2, "jul-22-2021-version-2-0-0"]], "Jul-22-2024: Version 3.3.2": [[2, "jul-22-2024-version-3-3-2"]], "Jul-3-2023: Version 2.7.0": [[2, "jul-3-2023-version-2-7-0"]], "Jul-8-2024: Version 3.3.0": [[2, "jul-8-2024-version-3-3-0"]], "Jul-8-2024: Version 3.3.1": [[2, "jul-8-2024-version-3-3-1"]], "Jun-17-2015: version 0.9.10": [[2, "jun-17-2015-version-0-9-10"]], "Jun-18-2015: version 0.9.10.1": [[2, "jun-18-2015-version-0-9-10-1"]], "Jun-18-2017: version 1.11.13": [[2, "jun-18-2017-version-1-11-13"]], "Jun-19-2024: Version 3.1.2": [[2, 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"extern": 9, "extract": 6, "fc": [4, 15], "fc2": [4, 12], "fc3": [4, 12, 18], "fc_calcul": 4, "fc_calculator_opt": 4, "fc_symmetri": 4, "feb": 2, "file": [0, 4, 6, 10, 12, 14, 20], "fmax": 1, "forc": [4, 6, 15, 18, 20], "forces_fc2": [12, 18], "forces_fc3": [6, 12, 18], "format": 20, "formul": 4, "freq": 4, "frequenc": [4, 10], "from": [4, 6, 13], "fs2f2": 4, "full": 4, "full_pp": 4, "function": [4, 19], "ga": 4, "gamma": [1, 4, 10, 12], "gamma_detail": 12, "gamma_isotop": 10, "gcc": 13, "gener": [1, 15, 18], "gp": 4, "grid": [4, 10, 15], "grid_address": 4, "grid_point": 4, "group_veloc": 10, "gruneisen": 4, "gv": 1, "gv_by_gv": 10, "hdf5": [4, 10, 12], "heat_capac": 10, "how": [0, 1, 3, 7, 10, 23, 25], "i": [4, 6], "id": 6, "imag_self_energi": 4, "imaginari": 4, "import": 20, "index": 10, "indic": 4, "input": [4, 12], "instal": 13, "instruct": 13, "integ": 15, "integr": 4, "interact": [6, 7, 15, 19], "interfac": [4, 7, 14], "intermedi": 12, "invers": 7, "io": 4, "ise": 4, "isotop": 4, "its": 13, "jan": 2, "jdo": [4, 12], "joint": [4, 19], "joint_do": 4, "jul": 2, "jun": 2, "june": 2, "kaccum": 1, "kappa": [10, 12], "kappa_unit_convers": 10, "kdeplot": 1, "kinet": 9, "know": 10, "lapack": [7, 13], "latest": 13, "lattic": [1, 15, 20], "lbte": [3, 4], "lda": 6, "librari": [10, 13], "licens": 11, "lifetim": 1, "linear": 7, "linewidth": 12, "link": 7, "list": 11, "load": [7, 15, 16], "log": 2, "macro": 13, "magmom": 4, "magnet": 4, "mai": 2, "mail": 11, "make": 6, "manag": 13, "mar": 2, "mass": 4, "mass_vari": 4, "matrix": [7, 15], "memori": 7, "mesh": [4, 10], "mesh_numb": 4, "method": 4, "mfp": [1, 4], "mkl": 7, "mode": [4, 10], "model": 9, "moment": 4, "multithread": 13, "mv": 4, "n_u": 4, "nac": 4, "name": [4, 14], "nbin": 1, "netlib": 13, "non": [4, 15], "norm": 1, "nov": 2, "nsp": 1, "nu": 4, "num": 4, "num_frequency_point": 4, "number": 10, "numer": 20, "numpi": 7, "o": 4, "oct": 2, "onli": 4, "openbla": [7, 13], "openmp": 13, "opt": 4, "option": [1, 4, 18], "order": [4, 15], "output": 12, "pa": 4, "packag": 13, "pair": [4, 6, 18, 19], "param": 4, "paramet": [4, 7, 15], "part": 4, "pbe": 6, "phono3pi": [0, 1, 3, 5, 6, 9, 11, 13, 15, 16, 17, 21, 22], "phono3py_disp": [6, 12], "phono3py_param": 18, "phonon": [1, 4, 6, 7, 15, 19], "phonopi": 20, "physic": 14, "pitch": 4, "point": [4, 10, 15], "power": 9, "pp": 4, "pqj": 1, "practic": 20, "primit": 4, "primitive_ax": 4, "properti": 1, "provid": 13, "pseudo": 7, "publish": 0, "pw": 17, "python": 10, "q": [4, 10, 15], "q_direct": 4, "qe": 4, "qualiti": 20, "quantum": 17, "randan": 18, "random": [4, 18], "random_displac": 4, "random_displacements_fc2": 4, "random_se": 4, "ratio": 1, "rd": 4, "read": [4, 10], "read_fc2": 4, "read_fc3": 4, "read_gamma": 4, "read_phonon": 4, "read_pp": 4, "real": 4, "real_self_energi": 4, "reciproc": 4, "refer": 19, "regular": 15, "relat": [1, 18], "result": [10, 20], "review": 19, "rse": 4, "rta": 23, "run": 6, "sampl": [4, 15], "save": 4, "scalar": 1, "scatter": [4, 23], "scattering_event_class": 4, "scipi": 7, "script": [6, 25], "search": 13, "seed": 4, "self": [4, 19], "sep": 2, "set": 4, "shoot": 13, "si": 6, "sigma": 4, "sigma_cutoff_width": 4, "simpl": 12, "singl": 13, "solut": [3, 7, 23], "solv": 4, "solver": 7, "sourc": [0, 13], "sp": 4, "space": 4, "special": 6, "specif": 14, "spectral": [4, 19], "spectral_funct": 4, "spf": 4, "state": [4, 19], "store": 10, "stp": 4, "strength": [7, 19], "structur": 15, "summat": 20, "supercel": [4, 6, 15], "symfc": 4, "symmetri": 4, "t": 4, "tag": 4, "tau": 1, "temperatur": [1, 4, 10], "tensor": 1, "term": [4, 15], "test": 6, "tetrahedron": 4, "text": 12, "thermal": [1, 15, 20], "thm": 4, "thread": 13, "three": 15, "tip": 20, "tmax": 4, "tmin": 4, "tool": [1, 9], "trace": 1, "transport": [3, 23], "treatment": 23, "troubl": 13, "true": 4, "tstep": 4, "turbomol": [4, 21], "ubuntu": 13, "unit": 14, "us": [1, 4, 7, 10, 13, 15, 23], "usag": [6, 7], "use_ave_pp": 4, "util": 4, "valu": 15, "varianc": 4, "vasp": 22, "version": [2, 13], "via": 7, "wai": 20, "weight": [4, 10], "welcom": 11, "wgp": 4, "what": 6, "wigner": [3, 4, 23], "work": 7, "workflow": [5, 17, 21, 22, 24], "workload": 25, "write": [0, 4], "write_gamma": 4, "write_gamma_detail": 4, "write_phonon": 4, "write_pp": 4, "wte": 23, "xmax": 1, "yaml": [6, 12, 18], "ymax": 1, "zmax": 1, "zone": [4, 20]}})
\ No newline at end of file
diff --git a/tips.html b/tips.html
index 619e5d52..15eafd37 100644
--- a/tips.html
+++ b/tips.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Tips &#8212; Phono3py v.3.3.3</title>
+    <title>Tips &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/turbomole.html b/turbomole.html
index 6d2eadc1..af08a279 100644
--- a/turbomole.html
+++ b/turbomole.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>TURBOMOLE &amp; phono3py calculation &#8212; Phono3py v.3.3.3</title>
+    <title>TURBOMOLE &amp; phono3py calculation &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -391,7 +391,7 @@ <h2> Contents </h2>
 example contains pre-calculated force files.</p>
 </li>
 <li><p>Calculate 3rd and 2nd order force constants in files <code class="docutils literal notranslate"><span class="pre">fc3.hdf5</span></code> and <code class="docutils literal notranslate"><span class="pre">fc2.hdf5</span></code>:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--turbomole<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--dim-fc2<span class="o">=</span><span class="s2">&quot;3 3 3&quot;</span><span class="w"> </span>--sym-fc
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--turbomole<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--dim-fc2<span class="o">=</span><span class="s2">&quot;3 3 3&quot;</span><span class="w"> </span>--fc-symmetry
 </pre></div>
 </div>
 <p><code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code> is used to symmetrize second- and third-order force constants.</p>
diff --git a/vasp.html b/vasp.html
index 7da1621f..8a0990de 100644
--- a/vasp.html
+++ b/vasp.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>VASP &amp; phono3py calculation &#8212; Phono3py v.3.3.3</title>
+    <title>VASP &amp; phono3py calculation &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -379,10 +379,10 @@ <h2> Contents </h2>
 created.</p>
 </li>
 <li><p>Create <code class="docutils literal notranslate"><span class="pre">fc2.hdf</span></code> and <code class="docutils literal notranslate"><span class="pre">fc3.hdf</span></code></p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--sym-fc
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--fc-symmetry
 </pre></div>
 </div>
-<p><code class="docutils literal notranslate"><span class="pre">--sym-fc</span></code> symmetrizes fc3 and fc2. <code class="docutils literal notranslate"><span class="pre">fc2.hdf5</span></code> and <code class="docutils literal notranslate"><span class="pre">fc3.hdf5</span></code>
+<p><code class="docutils literal notranslate"><span class="pre">--fc-symmetry</span></code> symmetrizes fc3 and fc2. <code class="docutils literal notranslate"><span class="pre">fc2.hdf5</span></code> and <code class="docutils literal notranslate"><span class="pre">fc3.hdf5</span></code>
 are created from <code class="docutils literal notranslate"><span class="pre">FORCES_FC3</span></code> (and
 optionally <code class="docutils literal notranslate"><span class="pre">FORCES_FC2</span></code>) and <code class="docutils literal notranslate"><span class="pre">phono3py_disp.yaml</span></code>. This step is
 not mandatory, but you can avoid calculating fc2 and fc3 at every
diff --git a/wigner-solution.html b/wigner-solution.html
index 9ee405df..a4240d1e 100644
--- a/wigner-solution.html
+++ b/wigner-solution.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Solution of the Wigner transport equation &#8212; Phono3py v.3.3.3</title>
+    <title>Solution of the Wigner transport equation &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -134,7 +134,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -376,7 +376,7 @@ <h2><a class="toc-backref" href="#id1" role="doc-backlink">How to use</a><a clas
 <section id="solution-of-the-wte-scattering-in-the-rta-approximation">
 <h3><a class="toc-backref" href="#id2" role="doc-backlink">Solution of the WTE, scattering in the RTA approximation</a><a class="headerlink" href="#solution-of-the-wte-scattering-in-the-rta-approximation" title="Link to this heading">#</a></h3>
 <p>To compute the Wigner conductivity with scattering in the RTA approximation, specify <code class="docutils literal notranslate"><span class="pre">--br</span></code> and <code class="docutils literal notranslate"><span class="pre">--wigner</span></code>. For <code class="docutils literal notranslate"><span class="pre">example/Wigner_La2Zr2O7</span></code>, the command is:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>phono3py<span class="w"> </span>--nac<span class="w"> </span>--cell<span class="w"> </span>POSCAR<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--dim-fc2<span class="o">=</span><span class="s2">&quot;4 4 4&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--tmin<span class="o">=</span><span class="m">300</span><span class="w"> </span>--tmax<span class="o">=</span><span class="m">1000</span><span class="w"> </span>--tstep<span class="o">=</span><span class="m">700</span><span class="w"> </span>--sym-fc<span class="w"> </span>--isotope<span class="w"> </span>--br<span class="w"> </span>--wigner<span class="w"> </span>--read-gamma<span class="w"> </span>&gt;<span class="w"> </span>tc_La2Zr2O7.out
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>phono3py<span class="w"> </span>--nac<span class="w"> </span>--cell<span class="w"> </span>POSCAR<span class="w"> </span>--fc2<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--dim-fc2<span class="o">=</span><span class="s2">&quot;4 4 4&quot;</span><span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--tmin<span class="o">=</span><span class="m">300</span><span class="w"> </span>--tmax<span class="o">=</span><span class="m">1000</span><span class="w"> </span>--tstep<span class="o">=</span><span class="m">700</span><span class="w"> </span>--fc-symmetry<span class="w"> </span>--isotope<span class="w"> </span>--br<span class="w"> </span>--wigner<span class="w"> </span>--read-gamma<span class="w"> </span>&gt;<span class="w"> </span>tc_La2Zr2O7.out
 </pre></div>
 </div>
 <p>The example above uses the <code class="docutils literal notranslate"><span class="pre">--read-gamma</span></code> option to read the phonon linewidths stored in the file  <code class="docutils literal notranslate"><span class="pre">kappa-m191919.hdf5</span></code>. The calculation of these linewidths is computationally expensive, more details are reported in the <a class="reference internal" href="citation.html#citation-wigner-formulation"><span class="std std-ref">paper on the Wigner formulation</span></a>, and in this example the linewidths are provided.
diff --git a/workflow.html b/workflow.html
index e02e48cd..10a22107 100644
--- a/workflow.html
+++ b/workflow.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Workflow &#8212; Phono3py v.3.3.3</title>
+    <title>Workflow &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
diff --git a/workload-distribution.html b/workload-distribution.html
index d4169f13..2f8f7cd1 100644
--- a/workload-distribution.html
+++ b/workload-distribution.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Workload distribution &#8212; Phono3py v.3.3.3</title>
+    <title>Workload distribution &#8212; Phono3py v.3.3.4</title>
   
   
   
@@ -36,7 +36,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
   <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
-    <script src="_static/documentation_options.js?v=a32a189e"></script>
+    <script src="_static/documentation_options.js?v=363f9a4f"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@@ -132,7 +132,7 @@
   
   
   
-    <p class="title logo__title">Phono3py v.3.3.3</p>
+    <p class="title logo__title">Phono3py v.3.3.4</p>
   
 </a></div>
         <div class="sidebar-primary-item">
@@ -361,12 +361,12 @@ <h2><a class="toc-backref" href="#id2" role="doc-backlink">How to do it</a><a cl
 <p>The following example is executed in the <code class="docutils literal notranslate"><span class="pre">Si-PBE</span></code> example.</p>
 <p>To avoid re-calculating fc3 and fc2, <code class="docutils literal notranslate"><span class="pre">fc3.hdf5</span></code> and <code class="docutils literal notranslate"><span class="pre">fc2.hdf5</span></code> are
 created on a single node:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--sym-fc<span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load
 </pre></div>
 </div>
 <p>The indices of the irreducible grid-points neccesarry to specify
 <code class="docutils literal notranslate"><span class="pre">--ga</span></code> option are found by <a class="reference internal" href="command-options.html#wgp-option"><span class="std std-ref">–wgp option</span></a></p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--br<span class="w"> </span>--wgp
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span>--br<span class="w"> </span>--wgp
 </pre></div>
 </div>
 <p>and they are stored in <code class="docutils literal notranslate"><span class="pre">ir_grid_points.yaml</span></code>.</p>
@@ -378,7 +378,7 @@ <h2><a class="toc-backref" href="#id2" role="doc-backlink">How to do it</a><a cl
 necessary to obtain lattice thermal conductivity. To distribute
 computational demands into computer nodes, a set of the grid-point
 indices are chosen and executed as follows:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--br<span class="w"> </span>--gp<span class="o">=</span><span class="s2">&quot;0,1,2,3,4,5,6,7,8,9,20,21,22,23,24,25&quot;</span><span class="w"> </span>--write-gamma
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span>--br<span class="w"> </span>--gp<span class="w"> </span><span class="s2">&quot;0,1,2,3,4,5,6,7,8,9,20,21,22,23,24,25&quot;</span><span class="w"> </span>--write-gamma
 </pre></div>
 </div>
 <p>Then many <code class="docutils literal notranslate"><span class="pre">kappa-m191919-gx.hdf5</span></code> files are generated. These file
@@ -388,7 +388,7 @@ <h2><a class="toc-backref" href="#id2" role="doc-backlink">How to do it</a><a cl
 options. After completing calculations for all irreducible grid-point
 indices, the RTA thermal conductivity is computed by another run in a
 short time from the stored data:</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--br<span class="w"> </span>--read-gamma
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span>--br<span class="w"> </span>--read-gamma
 </pre></div>
 </div>
 </section>
@@ -418,7 +418,7 @@ <h2><a class="toc-backref" href="#id3" role="doc-backlink">A convenient script</
 </pre></div>
 </div>
 <p>Supposed that this script is saved as <code class="docutils literal notranslate"><span class="pre">divide_gps.py</span></code>,</p>
-<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--wgp
+<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span>--wgp
 ...
 %<span class="w"> </span>python<span class="w"> </span>divide_gps.py<span class="w"> </span><span class="m">20</span>
 <span class="m">0</span>,30,52,82,120,402,434,468,524,844,1206
@@ -456,7 +456,7 @@ <h2><a class="toc-backref" href="#id3" role="doc-backlink">A convenient script</
 <span class="c1">#$ -e err-phono3py-num.log</span>
 <span class="c1">#$ -o std-phono3py-num.log</span>
 
-phono3py<span class="w"> </span>--dim<span class="o">=</span><span class="s2">&quot;2 2 2&quot;</span><span class="w"> </span>--pa<span class="o">=</span><span class="s2">&quot;F&quot;</span><span class="w"> </span>-c<span class="w"> </span>POSCAR-unitcell<span class="w"> </span>--mesh<span class="o">=</span><span class="s2">&quot;19 19 19&quot;</span><span class="w"> </span>--fc3<span class="w"> </span>--fc2<span class="w"> </span>--br<span class="w"> </span>--gp<span class="o">=</span><span class="s2">&quot;gps&quot;</span><span class="w"> </span>--write-gamma
+phono3py-load<span class="w"> </span>--mesh<span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span><span class="m">19</span><span class="w"> </span>--br<span class="w"> </span>--gp<span class="w"> </span><span class="s2">&quot;gps&quot;</span><span class="w"> </span>--write-gamma
 </pre></div>
 </div>
 </section>