# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/cb9351b3-9cf2-4cdb-babf-b4e0a32913d3/download)
## Creator
[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)
## Rights
Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)
## Other metadata
[Ab-initio phonon calculation for La(SiP3)2 / Cmc2_1 (36) / materials id 29186](https://mdr.nims.go.jp/datasets/daa7678e-652f-49e2-9156-1b812202c7d7)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 32Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 96P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 16La 138.90000000 11.00000000 PAW_PBE La 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 331.552000 EDIFF = 1.000000e-08 EDIFFG = -1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/POSCAR-unitcell Si P La 1.0 10.1133543400000008 0.0000000000000000 0.0000000000000000 0.0000000000000000 27.9218296499999994 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.2653420900000008 Si P La 32 96 16Direct 0.1605743000000000 0.9195640899999999 0.1777126800000000 0.8223638600000001 0.8353641300000000 0.7191972900000000 0.6776361399999999 0.6646358700000000 0.2191972900000000 0.1776361400000000 0.8353641300000000 0.7191972900000000 0.3223638600000000 0.6646358700000000 0.2191972900000000 0.6718634299999999 0.6785217299999999 0.8851505300000000 0.8281365700000000 0.8214782700000001 0.3851505300000000 0.3281365700000000 0.6785217299999999 0.8851505300000000 0.1718634300000000 0.8214782700000001 0.3851505300000000 0.3394257000000000 0.5804359100000001 0.6777126800000000 0.8394257000000001 0.9195640899999999 0.1777126800000000 0.6605742999999999 0.5804359100000001 0.6777126800000000 0.1700699500000000 0.5664760300000000 0.3574351500000000 0.3299300500000000 0.9335239700000000 0.8574351500000000 0.8299300500000000 0.5664760300000000 0.3574351500000000 0.6700699500000000 0.9335239700000000 0.8574351500000000 0.6605742999999999 0.4195640900000000 0.1777126800000000 0.3223638600000000 0.3353641300000000 0.7191972900000000 0.1776361400000000 0.1646358700000000 0.2191972900000000 0.6776361399999999 0.3353641300000000 0.7191972900000000 0.8223638600000001 0.1646358700000000 0.2191972900000000 0.1718634300000000 0.1785217300000000 0.8851505300000000 0.3281365700000000 0.3214782700000000 0.3851505300000000 0.8281365700000000 0.1785217300000000 0.8851505300000000 0.6718634299999999 0.3214782700000000 0.3851505300000000 0.8394257000000001 0.0804359100000000 0.6777126800000000 0.3394257000000000 0.4195640900000000 0.1777126800000000 0.1605743000000000 0.0804359100000000 0.6777126800000000 0.6700699500000000 0.0664760300000000 0.3574351500000000 0.8299300500000000 0.4335239700000000 0.8574351500000000 0.3299300500000000 0.0664760300000000 0.3574351500000000 0.1700699500000000 0.4335239700000000 0.8574351500000000 0.6661723800000000 0.7652342800000000 0.3855022000000000 0.0000000000000000 0.7724454800000000 0.4060196300000000 0.5000000000000000 0.7275545200000000 0.9060196300000000 0.0000000000000000 0.9587222800000000 0.2803283600000000 0.5000000000000000 0.5412777200000001 0.7803283599999999 0.5000000000000000 0.5775208700000001 0.3553572600000000 0.0000000000000000 0.9224791300000000 0.8553572600000000 0.0000000000000000 0.8431037900000000 0.8566781500000000 0.1545023600000000 0.6466144700000001 0.3581653100000000 0.3454976400000000 0.8533855299999999 0.8581653100000000 0.8454976400000001 0.6466144700000001 0.3581653100000000 0.6545023599999999 0.8533855299999999 0.8581653100000000 0.2020823200000000 0.5295086800000000 0.1670837600000000 0.2979176800000000 0.9704913200000000 0.6670837600000000 0.7979176800000000 0.5295086800000000 0.1670837600000000 0.7020823199999999 0.9704913200000000 0.6670837600000000 0.2057882700000000 0.8427666900000000 0.1746597300000000 0.2942117300000000 0.6572333100000001 0.6746597300000000 0.7942117300000000 0.8427666900000000 0.1746597300000000 0.7057882700000000 0.6572333100000001 0.6746597300000000 0.2902503900000000 0.7421866100000001 0.1843150000000000 0.2097496100000000 0.7578133900000000 0.6843150000000000 0.7097496100000000 0.7421866100000001 0.1843150000000000 0.7902503900000000 0.7578133900000000 0.6843150000000000 0.2904675300000000 0.6212174900000000 0.0363691400000000 0.2095324700000000 0.8787825100000000 0.5363691400000000 0.7095324700000001 0.6212174900000000 0.0363691400000000 0.7904675300000000 0.8787825100000000 0.5363691400000000 0.3338276200000000 0.7652342800000000 0.3855022000000000 0.1661723800000000 0.7347657200000000 0.8855022000000000 0.5000000000000000 0.6568962100000000 0.3566781500000000 0.8338276200000000 0.7347657200000000 0.8855022000000000 0.3404047700000000 0.9583522600000000 0.2547543900000000 0.1595952300000000 0.5416477399999999 0.7547543900000000 0.6595952300000000 0.9583522600000000 0.2547543900000000 0.8404047700000000 0.5416477399999999 0.7547543900000000 0.3465924700000000 0.5455960000000000 0.4781367800000000 0.1534075300000000 0.9544040000000000 0.9781367800000000 0.5000000000000000 0.8166396600000000 0.3856157800000000 0.8465924700000000 0.9544040000000000 0.9781367800000000 0.0000000000000000 0.5296401900000001 0.4618496200000000 0.5000000000000000 0.9703598100000000 0.9618496200000000 0.0000000000000000 0.5752550000000001 0.6386739299999999 0.5000000000000000 0.9247450000000000 0.1386739300000000 0.0000000000000000 0.6551247800000000 0.2084573500000000 0.5000000000000000 0.8448752200000000 0.7084573500000000 0.0000000000000000 0.6833603400000000 0.8856157800000000 0.6534075300000000 0.5455960000000000 0.4781367800000000 0.1661723800000000 0.2652342800000000 0.3855022000000000 0.5000000000000000 0.2724454800000000 0.4060196300000000 0.0000000000000000 0.2275545200000000 0.9060196300000000 0.5000000000000000 0.4587222800000000 0.2803283600000000 0.0000000000000000 0.0412777200000000 0.7803283599999999 0.0000000000000000 0.0775208700000000 0.3553572600000000 0.5000000000000000 0.4224791300000000 0.8553572600000000 0.5000000000000000 0.3431037900000000 0.8566781500000000 0.6545023599999999 0.1466144700000000 0.3581653100000000 0.8454976400000001 0.3533855300000000 0.8581653100000000 0.3454976400000000 0.1466144700000000 0.3581653100000000 0.1545023600000000 0.3533855300000000 0.8581653100000000 0.7020823199999999 0.0295086800000000 0.1670837600000000 0.7979176800000000 0.4704913200000000 0.6670837600000000 0.2979176800000000 0.0295086800000000 0.1670837600000000 0.2020823200000000 0.4704913200000000 0.6670837600000000 0.7057882700000000 0.3427666900000000 0.1746597300000000 0.7942117300000000 0.1572333100000000 0.6746597300000000 0.2942117300000000 0.3427666900000000 0.1746597300000000 0.2057882700000000 0.1572333100000000 0.6746597300000000 0.7902503900000000 0.2421866100000000 0.1843150000000000 0.7097496100000000 0.2578133900000000 0.6843150000000000 0.2097496100000000 0.2421866100000000 0.1843150000000000 0.2902503900000000 0.2578133900000000 0.6843150000000000 0.7904675300000000 0.1212174900000000 0.0363691400000000 0.7095324700000001 0.3787825100000000 0.5363691400000000 0.2095324700000000 0.1212174900000000 0.0363691400000000 0.2904675300000000 0.3787825100000000 0.5363691400000000 0.8338276200000000 0.2652342800000000 0.3855022000000000 0.6661723800000000 0.2347657200000000 0.8855022000000000 0.0000000000000000 0.1568962100000000 0.3566781500000000 0.3338276200000000 0.2347657200000000 0.8855022000000000 0.8404047700000000 0.4583522600000000 0.2547543900000000 0.6595952300000000 0.0416477400000000 0.7547543900000000 0.1595952300000000 0.4583522600000000 0.2547543900000000 0.3404047700000000 0.0416477400000000 0.7547543900000000 0.8465924700000000 0.0455960000000000 0.4781367800000000 0.6534075300000000 0.4544040000000000 0.9781367800000000 0.0000000000000000 0.3166396600000000 0.3856157800000000 0.3465924700000000 0.4544040000000000 0.9781367800000000 0.5000000000000000 0.0296401900000000 0.4618496200000000 0.0000000000000000 0.4703598100000000 0.9618496200000000 0.5000000000000000 0.0752550000000000 0.6386739299999999 0.0000000000000000 0.4247450000000000 0.1386739300000000 0.5000000000000000 0.1551247800000000 0.2084573500000000 0.0000000000000000 0.3448752200000000 0.7084573500000000 0.5000000000000000 0.1833603400000000 0.8856157800000000 0.1534075300000000 0.0455960000000000 0.4781367800000000 0.0000000000000000 0.9585324700000000 0.5754611500000000 0.5000000000000000 0.5414675300000000 0.0754611500000000 0.5000000000000000 0.7343063400000001 0.6136095400000000 0.0000000000000000 0.7656936599999999 0.1136095400000000 0.5000000000000000 0.8106423700000001 0.0986029100000000 0.0000000000000000 0.6893576299999999 0.5986029100000000 0.5000000000000000 0.9191157700000000 0.4977523500000000 0.0000000000000000 0.5808842300000000 0.9977523500000000 0.5000000000000000 0.4585324700000000 0.5754611500000000 0.0000000000000000 0.0414675300000000 0.0754611500000000 0.0000000000000000 0.2343063400000000 0.6136095400000000 0.5000000000000000 0.2656936600000000 0.1136095400000000 0.0000000000000000 0.3106423700000000 0.0986029100000000 0.5000000000000000 0.1893576300000000 0.5986029100000000 0.0000000000000000 0.4191157700000000 0.4977523500000000 0.5000000000000000 0.0808842300000000 0.9977523500000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 331.552000 EDIFF = 1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 2 1 2 0.000 0.000 0.000