# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/709ab914-a524-4683-880b-ec5ab237a3f0/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 ZnS / P3m1 (156) / materials id 554115](https://mdr.nims.go.jp/datasets/752c5540-5475-45a4-9c44-fa0ac1433ccf)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Zn</c><c>     65.39000000</c><c>     12.00000000</c><c>  PAW_PBE Zn 06Sep2000                  </c></rc>    <rc><c>  24</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 359.739900     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 Zn S   1.0     3.7866940300000000    0.0000000000000000    0.0000000000000000    -1.8933470200000000    3.2793732200000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   74.2100176499999975 Zn S  24  24Direct   0.6666666700000000  0.3333333300000000  0.2916967300000000   0.3333333300000000  0.6666666700000000  0.3333535600000000   0.6666666700000000  0.3333333300000000  0.6666614700000000   0.3333333300000000  0.6666666700000000  0.7083227500000000   0.0000000000000000  0.0000000000000000  0.6249983500000000   0.6666666700000000  0.3333333300000000  0.9166067900000000   0.6666666700000000  0.3333333300000000  0.4166757200000000   0.6666666700000000  0.3333333300000000  0.7916447100000000   0.3333333300000000  0.6666666700000000  0.4583372400000000   0.0000000000000000  0.0000000000000000  0.2500437200000000   0.3333333300000000  0.6666666700000000  0.9582458700000001   0.6666666700000000  0.3333333300000000  0.5416663700000000   0.0000000000000000  0.0000000000000000  0.8749547200000000   0.3333333300000000  0.6666666700000000  0.8333014400000001   0.3333333300000000  0.6666666700000000  0.5833329899999999   0.0000000000000000  0.0000000000000000  0.5000005900000000   0.0000000000000000  0.0000000000000000  0.3750138700000000   0.6666666700000000  0.3333333300000000  0.1667423300000000   0.3333333300000000  0.6666666700000000  0.2083916000000000   0.3333333300000000  0.6666666700000000  0.0416791000000000   0.0000000000000000  0.0000000000000000  0.1250325500000000   0.6666666700000000  0.3333333300000000  0.0833097300000000   0.0000000000000000  0.0000000000000000  0.9999710200000000   0.0000000000000000  0.0000000000000000  0.7499845100000000   0.3333333300000000  0.6666666700000000  0.8020583999999999   0.6666666700000000  0.3333333300000000  0.1355032600000000   0.0000000000000000  0.0000000000000000  0.5937514600000000   0.6666666700000000  0.3333333300000000  0.3854301100000000   0.0000000000000000  0.0000000000000000  0.4687540900000000   0.3333333300000000  0.6666666700000000  0.5520855099999999   0.3333333300000000  0.6666666700000000  0.0104407800000000   0.6666666700000000  0.3333333300000000  0.2604542800000000   0.0000000000000000  0.0000000000000000  0.9686718000000000   0.3333333300000000  0.6666666700000000  0.1771496600000000   0.0000000000000000  0.0000000000000000  0.2188017000000000   0.6666666700000000  0.3333333300000000  0.0520822900000000   0.0000000000000000  0.0000000000000000  0.8437124400000000   0.3333333300000000  0.6666666700000000  0.3021095700000000   0.6666666700000000  0.3333333300000000  0.5104191200000000   0.0000000000000000  0.0000000000000000  0.3437686100000000   0.0000000000000000  0.0000000000000000  0.7187390600000000   0.6666666700000000  0.3333333300000000  0.6354156100000000   0.3333333300000000  0.6666666700000000  0.4270915500000000   0.3333333300000000  0.6666666700000000  0.9270167600000000   0.6666666700000000  0.3333333300000000  0.8853647800000000   0.6666666700000000  0.3333333300000000  0.7604000700000000   0.3333333300000000  0.6666666700000000  0.6770773500000000   0.0000000000000000  0.0000000000000000  0.0937340200000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 359.739900     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     6     6     1 0.000 0.000 0.000