# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d9cad4dd-0f89-4df6-b9f0-2d90593f827b/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 Ag2PS3 / P2_1/c (14) / materials id 558469](https://mdr.nims.go.jp/datasets/07b55473-eca0-4084-8327-4e7aae59d3d1)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 48Ag 107.86800000 17.00000000 PAW_PBE Ag_pv 09Dec2005 24P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 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 = 387.224500 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 Ag P S 1.0 6.4245103300000004 0.0000000000000000 0.0015016100000000 0.0000000000000000 11.7202434699999998 0.0000000000000000 -1.1427184100000001 0.0000000000000000 19.1184987299999989 Ag P S 24 12 36Direct 0.6127784900000000 0.9270446100000000 0.1699194300000000 0.0245327400000000 0.2298291100000000 0.7895954400000000 0.0846233200000000 0.2941402500000000 0.0122878100000000 0.4790104000000000 0.6261705799999999 0.1041439100000000 0.5197991399999999 0.3379830300000000 0.1332778800000000 0.3872215100000000 0.0729553900000000 0.8300805700000000 0.0245327400000000 0.2701708900000000 0.2895954400000000 0.9089556200000000 0.9317202500000000 0.9080982399999999 0.9754672599999999 0.7701708899999999 0.2104045600000000 0.3872215100000000 0.4270446100000000 0.3300805700000000 0.4802008600000000 0.8379830300000000 0.3667221200000000 0.9754672599999999 0.7298291100000001 0.7104045600000000 0.0846233200000000 0.2058597500000000 0.5122878100000000 0.9153766800000001 0.7941402500000000 0.4877121900000000 0.5209896000000001 0.3738294200000000 0.8958560900000000 0.0910443800000000 0.0682797500000000 0.0919017600000000 0.5197991399999999 0.1620169700000000 0.6332778800000001 0.5209896000000001 0.1261705800000000 0.3958560900000000 0.4790104000000000 0.8738294200000000 0.6041439100000000 0.0910443800000000 0.4317202500000000 0.5919017600000001 0.9153766800000001 0.7058597500000000 0.9877121900000000 0.4802008600000000 0.6620169700000000 0.8667221200000000 0.9089556200000000 0.5682797500000000 0.4080982400000000 0.6127784900000000 0.5729553900000000 0.6699194300000000 0.5411968700000001 0.0946438600000000 0.0088299700000000 0.9505446700000000 0.0065021500000000 0.6253359700000001 0.4588031300000000 0.5946438600000000 0.4911700300000000 0.8336495100000000 0.5214835900000000 0.2337141500000000 0.1663504900000000 0.0214835900000000 0.2662858500000000 0.5411968700000001 0.4053561400000000 0.5088299700000001 0.0494553300000000 0.5065021500000000 0.8746640300000000 0.8336495100000000 0.9785164100000000 0.7337141500000000 0.1663504900000000 0.4785164100000000 0.7662858500000000 0.4588031300000000 0.9053561400000000 0.9911700300000000 0.9505446700000000 0.4934978500000000 0.1253359700000000 0.0494553300000000 0.9934978500000000 0.3746640300000000 0.9096443100000000 0.4421812200000000 0.7020599100000000 0.8418412900000000 0.3873280100000000 0.4859488000000000 0.1581587100000000 0.6126719899999999 0.5140511999999999 0.0984816300000000 0.8564589499999999 0.6039126000000000 0.0903556900000000 0.9421812200000000 0.7979400900000000 0.4735932600000000 0.3753987700000000 0.6104181900000001 0.6866078000000000 0.3710016800000000 0.2571903500000000 0.9096443100000000 0.0578187800000000 0.2020599100000000 0.3490188200000000 0.3128734600000000 0.4402279200000000 0.6977669100000000 0.0287277300000000 0.5566660600000000 0.8418412900000000 0.1126719900000000 0.9859488000000000 0.6509811800000000 0.8128734600000000 0.0597720800000000 0.1234083800000000 0.1518950600000000 0.6351978200000000 0.8765916200000000 0.6518950600000000 0.8648021800000000 0.8765916200000000 0.8481049400000000 0.3648021800000000 0.3022330900000000 0.5287277300000000 0.9433339400000000 0.5264067400000000 0.8753987700000000 0.8895818100000000 0.3022330900000000 0.9712722700000000 0.4433339400000000 0.6438205299999999 0.8397307400000000 0.7278595600000000 0.0903556900000000 0.5578187800000001 0.2979400900000000 0.9015183700000000 0.3564589500000000 0.8960874000000000 0.3561794700000000 0.1602692600000000 0.2721404400000000 0.6977669100000000 0.4712722700000000 0.0566660600000000 0.5264067400000000 0.6246012300000000 0.3895818100000000 0.4735932600000000 0.1246012300000000 0.1104181900000000 0.6438205299999999 0.6602692600000000 0.2278595600000000 0.3490188200000000 0.1871265400000000 0.9402279200000000 0.6509811800000000 0.6871265400000000 0.5597720800000000 0.3133922000000000 0.8710016800000000 0.2428096500000000 0.0984816300000000 0.6435410500000001 0.1039126000000000 0.1581587100000000 0.8873280100000001 0.0140512000000000 0.6866078000000000 0.1289983200000000 0.7571903500000000 0.1234083800000000 0.3481049400000000 0.1351978200000000 0.9015183700000000 0.1435410500000000 0.3960874000000000 0.3561794700000000 0.3397307400000000 0.7721404400000000 0.3133922000000000 0.6289983200000000 0.7428096500000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 387.224500 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 3 2 1 0.000 0.000 0.000