# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/cc3a87d4-8d7e-4930-a814-dedee4b4ec1e/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 554608](https://mdr.nims.go.jp/datasets/3ba0e754-52f0-46ee-a251-c622141d07be)

## 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     3.7862710300000000    0.0000000000000000    0.0000000000000000    -1.8931355400000001    3.2790069200000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   80.4127628399999992 Zn S  26  26Direct   0.0000000000000000  0.0000000000000000  0.1923413500000000   0.6666666700000000  0.3333333300000000  0.4231667100000000   0.3333333300000000  0.6666666700000000  0.0768402400000000   0.6666666700000000  0.3333333300000000  0.7691915600000000   0.0000000000000000  0.0000000000000000  0.6153975199999999   0.0000000000000000  0.0000000000000000  0.0384132200000000   0.3333333300000000  0.6666666700000000  0.3462266200000000   0.3333333300000000  0.6666666700000000  0.5769509300000000   0.6666666700000000  0.3333333300000000  0.2692820100000000   0.3333333300000000  0.6666666700000000  0.9229752300000000   0.3333333300000000  0.6666666700000000  0.1538354600000000   0.6666666700000000  0.3333333300000000  0.8845331000000000   0.0000000000000000  0.0000000000000000  0.7307445600000000   0.6666666700000000  0.3333333300000000  0.9999165300000000   0.0000000000000000  0.0000000000000000  0.3847269300000000   0.0000000000000000  0.0000000000000000  0.8460860700000000   0.3333333300000000  0.6666666700000000  0.4616149600000000   0.6666666700000000  0.3333333300000000  0.5385056699999999   0.0000000000000000  0.0000000000000000  0.9614056700000000   0.6666666700000000  0.3333333300000000  0.1153500900000000   0.3333333300000000  0.6666666700000000  0.6922938800000000   0.0000000000000000  0.0000000000000000  0.3077165500000000   0.3333333300000000  0.6666666700000000  0.8076414900000000   0.6666666700000000  0.3333333300000000  0.6538454700000000   0.0000000000000000  0.0000000000000000  0.5000585600000000   0.3333333300000000  0.6666666700000000  0.2308400800000000   0.6666666700000000  0.3333333300000000  0.5096720600000000   0.6666666700000000  0.3333333300000000  0.9710323800000000   0.0000000000000000  0.0000000000000000  0.9325857000000000   0.3333333300000000  0.6666666700000000  0.4327810700000000   0.6666666700000000  0.3333333300000000  0.0864665300000000   0.0000000000000000  0.0000000000000000  0.3558964200000000   0.0000000000000000  0.0000000000000000  0.4712264300000000   0.3333333300000000  0.6666666700000000  0.7788068900000000   0.0000000000000000  0.0000000000000000  0.1634577400000000   0.6666666700000000  0.3333333300000000  0.3943348200000000   0.3333333300000000  0.6666666700000000  0.0480204000000000   0.3333333300000000  0.6666666700000000  0.2020102700000000   0.3333333300000000  0.6666666700000000  0.8941438100000000   0.3333333300000000  0.6666666700000000  0.1250181100000000   0.3333333300000000  0.6666666700000000  0.5481182700000000   0.0000000000000000  0.0000000000000000  0.7019096100000000   0.0000000000000000  0.0000000000000000  0.0095845800000000   0.0000000000000000  0.0000000000000000  0.8172534100000000   0.6666666700000000  0.3333333300000000  0.2404497700000000   0.0000000000000000  0.0000000000000000  0.2788948400000000   0.0000000000000000  0.0000000000000000  0.5865644300000000   0.6666666700000000  0.3333333300000000  0.7403580100000000   0.6666666700000000  0.3333333300000000  0.8556996700000000   0.3333333300000000  0.6666666700000000  0.6634599400000001   0.6666666700000000  0.3333333300000000  0.6250116500000000   0.3333333300000000  0.6666666700000000  0.3173427100000000vasp-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