# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/9cdd5fa4-5cb6-473d-8ae7-c4ea13197d73/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 La4(GeS4)3 / R3c (161) / materials id 650031](https://mdr.nims.go.jp/datasets/9724fefe-2570-4b02-b24c-c5c40aac88fc)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24La 138.90000000 11.00000000 PAW_PBE La 06Sep2000 18Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 72S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 403.382200 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 La Ge S 1.0 19.2891636499999990 0.0000000000000000 0.0000000000000000 -9.6445818299999999 16.7049057300000001 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.0045043299999996 La Ge S 24 18 72Direct 0.1052741100000000 0.4356031400000000 0.4620109400000000 0.1052741100000000 0.6696709700000000 0.9620109400000000 0.9969956900000000 0.7689364700000000 0.2953442700000000 0.8977302000000000 0.5613925600000000 0.6286776000000001 0.0000000000000000 0.0000000000000000 0.9981461900000000 0.8977302000000000 0.3363376400000000 0.1286776000000000 0.9969956900000000 0.2280592200000000 0.7953442700000000 0.0000000000000000 0.0000000000000000 0.4981461900000000 0.7719407800000000 0.7689364700000000 0.7953442700000000 0.7719407800000000 0.0030043100000000 0.2953442700000000 0.6636623600000000 0.1022698000000000 0.6286776000000001 0.5643968600000000 0.8947258900000000 0.9620109400000000 0.6666666700000000 0.3333333300000000 0.3314795300000000 0.5643968600000000 0.6696709700000000 0.4620109400000000 0.6636623600000000 0.5613925600000000 0.1286776000000000 0.6666666700000000 0.3333333300000000 0.8314795300000000 0.4386074400000000 0.1022698000000000 0.1286776000000000 0.4386074400000000 0.3363376400000000 0.6286776000000001 0.3303290300000000 0.4356031400000000 0.9620109400000000 0.2310635300000000 0.2280592200000000 0.2953442700000000 0.3333333300000000 0.6666666700000000 0.6648128600000001 0.2310635300000000 0.0030043100000000 0.7953442700000000 0.3303290300000000 0.8947258900000000 0.4620109400000000 0.3333333300000000 0.6666666700000000 0.1648128600000000 0.0131663300000000 0.8125807800000000 0.8486365900000000 0.0131663300000000 0.2005855500000000 0.3486365900000000 0.1327477800000000 0.6535003300000000 0.5153032600000000 0.1327477800000000 0.4792474400000000 0.0153032600000000 0.8540858900000000 0.5339188900000000 0.1819699200000000 0.8540858900000000 0.3201670000000000 0.6819699200000000 0.6798330000000000 0.1459141100000000 0.1819699200000000 0.6798330000000000 0.5339188900000000 0.6819699200000000 0.7994144500000000 0.9868336700000000 0.8486365900000000 0.7994144500000000 0.8125807800000000 0.3486365900000000 0.5207525600000000 0.8672522200000000 0.5153032600000000 0.5207525600000000 0.6535003300000000 0.0153032600000000 0.3464996700000000 0.4792474400000000 0.5153032600000000 0.3464996700000000 0.8672522200000000 0.0153032600000000 0.4660811100000000 0.3201670000000000 0.1819699200000000 0.4660811100000000 0.1459141100000000 0.6819699200000000 0.1874192200000000 0.2005855500000000 0.8486365900000000 0.1874192200000000 0.9868336700000000 0.3486365900000000 0.0607367300000000 0.1241149500000000 0.2462446300000000 0.2092183900000000 0.6032884500000000 0.9129112900000000 0.0055007500000000 0.7287866599999999 0.6504804100000000 0.7300448800000000 0.2725966000000000 0.5795779599999999 0.9128746000000000 0.7996087000000001 0.0054967400000000 0.2092183900000000 0.6059299300000001 0.4129112900000000 0.0055007500000000 0.2767141000000000 0.1504804100000000 0.1114962800000000 0.8228151400000000 0.0073152900000000 0.0566192300000000 0.3954533300000000 0.8171470800000000 0.0446522100000000 0.4894818100000000 0.1739819600000000 0.2200674400000000 0.7537920700000000 0.6721634000000001 0.8438515200000000 0.6220144599999999 0.3406486200000000 0.0607367300000000 0.9366217900000000 0.7462446300000001 0.2200674400000000 0.4662753700000000 0.1721634000000000 0.9128746000000000 0.1132659000000000 0.5054967400000000 0.8670579600000000 0.4465992300000000 0.3388300700000000 0.0446522100000000 0.5551703900000000 0.6739819600000000 0.7300448800000000 0.4574482800000000 0.0795779600000000 0.8670579600000000 0.4204587300000000 0.8388300700000000 0.1114962800000000 0.2886811300000000 0.5073152900000000 0.9378800100000000 0.6100474300000001 0.9838137500000000 0.9378800100000000 0.3278325800000000 0.4838137500000000 0.8438515200000000 0.2218370500000000 0.8406486200000001 0.0566192300000000 0.6611659200000000 0.3171470800000000 0.7274034000000000 0.4574482800000000 0.5795779599999999 0.8758850499999999 0.9366217900000000 0.2462446300000000 0.6721674200000001 0.0621199900000000 0.9838137500000000 0.3967115500000000 0.6059299300000001 0.9129112900000000 0.5795412700000000 0.1329420400000000 0.3388300700000000 0.8758850499999999 0.9392632700000000 0.7462446300000001 0.6721674200000001 0.6100474300000001 0.4838137500000000 0.7781629500000000 0.1561484800000000 0.3406486200000000 0.7232859000000000 0.7287866599999999 0.1504804100000000 0.7113188699999999 0.8228151400000000 0.5073152900000000 0.8867341000000000 0.0871254000000000 0.0054967400000000 0.5105181900000000 0.9553477900000000 0.6739819600000000 0.7274034000000000 0.2699551200000000 0.0795779600000000 0.8867341000000000 0.7996087000000001 0.5054967400000000 0.5795412700000000 0.4465992300000000 0.8388300700000000 0.5337246300000000 0.7799325600000000 0.6721634000000001 0.7113188699999999 0.8885037200000000 0.0073152900000000 0.3967115500000000 0.7907816100000000 0.4129112900000000 0.5337246300000000 0.7537920700000000 0.1721634000000000 0.7781629500000000 0.6220144599999999 0.8406486200000001 0.6045466700000000 0.9433807700000000 0.3171470800000000 0.6045466700000000 0.6611659200000000 0.8171470800000000 0.5105181900000000 0.5551703900000000 0.1739819600000000 0.7232859000000000 0.9944992499999999 0.6504804100000000 0.3940700700000000 0.7907816100000000 0.9129112900000000 0.5425517200000001 0.2699551200000000 0.5795779599999999 0.3388340800000000 0.3954533300000000 0.3171470800000000 0.0633782100000000 0.9392632700000000 0.2462446300000000 0.2462079300000000 0.4662753700000000 0.6721634000000001 0.5425517200000001 0.2725966000000000 0.0795779600000000 0.3388340800000000 0.9433807700000000 0.8171470800000000 0.4448296100000000 0.4894818100000000 0.6739819600000000 0.3899525700000000 0.0621199900000000 0.4838137500000000 0.3779855400000000 0.1561484800000000 0.8406486200000001 0.5534007700000000 0.4204587300000000 0.3388300700000000 0.1771848600000000 0.2886811300000000 0.0073152900000000 0.3940700700000000 0.6032884500000000 0.4129112900000000 0.5534007700000000 0.1329420400000000 0.8388300700000000 0.2462079300000000 0.7799325600000000 0.1721634000000000 0.2003913000000000 0.1132659000000000 0.0054967400000000 0.3779855400000000 0.2218370500000000 0.3406486200000000 0.0633782100000000 0.1241149500000000 0.7462446300000001 0.2003913000000000 0.0871254000000000 0.5054967400000000 0.4448296100000000 0.9553477900000000 0.1739819600000000 0.2712133400000000 0.2767141000000000 0.6504804100000000 0.2712133400000000 0.9944992499999999 0.1504804100000000 0.1771848600000000 0.8885037200000000 0.5073152900000000 0.3899525700000000 0.3278325800000000 0.9838137500000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 403.382200 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 1 1 2 0.000 0.000 0.000