# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/f56137c4-3251-4870-b43d-03eaeca37a77/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 555311](https://mdr.nims.go.jp/datasets/deb717db-4b81-4494-99b5-1ae3b5856a7f)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  26</c><c>Zn</c><c>     65.39000000</c><c>     12.00000000</c><c>  PAW_PBE Zn 06Sep2000                  </c></rc>    <rc><c>  26</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     3.7858045499999999    0.0000000000000000    0.0000000000000000    -1.8929022600000001    3.2786029100000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   80.4380231500000065 Zn S  26  26Direct   0.0000000000000000  0.0000000000000000  0.8076724900000000   0.3333333300000000  0.6666666700000000  0.1153816200000000   0.6666666700000000  0.3333333300000000  0.4615700200000000   0.0000000000000000  0.0000000000000000  0.6538339000000000   0.3333333300000000  0.6666666700000000  0.2307612100000000   0.6666666700000000  0.3333333300000000  0.9615740200000000   0.0000000000000000  0.0000000000000000  0.8846653600000000   0.0000000000000000  0.0000000000000000  0.0385010100000000   0.6666666700000000  0.3333333300000000  0.1922641000000000   0.6666666700000000  0.3333333300000000  0.0769428300000000   0.3333333300000000  0.6666666700000000  0.7692511300000000   0.3333333300000000  0.6666666700000000  0.6922627600000000   0.0000000000000000  0.0000000000000000  0.4230679100000000   0.6666666700000000  0.3333333300000000  0.8461613100000001   0.3333333300000000  0.6666666700000000  0.5769771699999999   0.0000000000000000  0.0000000000000000  0.5384743400000001   0.3333333300000000  0.6666666700000000  0.0000772000000000   0.0000000000000000  0.0000000000000000  0.3076978700000000   0.0000000000000000  0.0000000000000000  0.1538272000000000   0.6666666700000000  0.3333333300000000  0.2692668900000000   0.3333333300000000  0.6666666700000000  0.9230852200000000   0.6666666700000000  0.3333333300000000  0.6153961299999999   0.3333333300000000  0.6666666700000000  0.4999890800000000   0.6666666700000000  0.3333333300000000  0.3845761600000000   0.3333333300000000  0.6666666700000000  0.3461390500000000   0.6666666700000000  0.3333333300000000  0.7307520500000000   0.6666666700000000  0.3333333300000000  0.7596267600000000   0.3333333300000000  0.6666666700000000  0.0288894700000000   0.3333333300000000  0.6666666700000000  0.7210838200000000   0.3333333300000000  0.6666666700000000  0.7980635800000000   0.0000000000000000  0.0000000000000000  0.3365242400000000   0.6666666700000000  0.3333333300000000  0.2210884100000000   0.0000000000000000  0.0000000000000000  0.8364935700000000   0.0000000000000000  0.0000000000000000  0.0673271200000000   0.0000000000000000  0.0000000000000000  0.9134768500000000   0.0000000000000000  0.0000000000000000  0.4519436300000000   0.6666666700000000  0.3333333300000000  0.1057687000000000   0.6666666700000000  0.3333333300000000  0.8750374400000001   0.6666666700000000  0.3333333300000000  0.2980821000000000   0.3333333300000000  0.6666666700000000  0.6057876600000001   0.3333333300000000  0.6666666700000000  0.9519059900000000   0.6666666700000000  0.3333333300000000  0.4903813800000000   0.0000000000000000  0.0000000000000000  0.6826567700000000   0.3333333300000000  0.6666666700000000  0.3749648000000000   0.0000000000000000  0.0000000000000000  0.1826529800000000   0.6666666700000000  0.3333333300000000  0.9904497600000000   0.3333333300000000  0.6666666700000000  0.2596388200000000   0.6666666700000000  0.3333333300000000  0.4133986900000000   0.3333333300000000  0.6666666700000000  0.1442095600000000   0.3333333300000000  0.6666666700000000  0.5288087800000000   0.0000000000000000  0.0000000000000000  0.5673503300000000   0.6666666700000000  0.3333333300000000  0.6442208000000000vasp-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