# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c8c8ffe6-6d4d-4590-a043-c3dca07f7371/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 / P6_3mc (186) / materials id 561286](https://mdr.nims.go.jp/datasets/861160d3-b31c-4c15-9c83-3d58d3bd548f)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  20</c><c>Zn</c><c>     65.39000000</c><c>     12.00000000</c><c>  PAW_PBE Zn 06Sep2000                  </c></rc>    <rc><c>  20</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     3.7866446300000001    0.0000000000000000    0.0000000000000000    -1.8933223100000001    3.2793304399999998    0.0000000000000000     0.0000000000000000    0.0000000000000000   61.8459098399999974 Zn S  20  20Direct   0.0000000000000000  0.0000000000000000  0.6000377400000000   0.3333333300000000  0.6666666700000000  0.5500574600000000   0.6666666700000000  0.3333333300000000  0.7999855700000000   0.6666666700000000  0.3333333300000000  0.3499719600000000   0.3333333300000000  0.6666666700000000  0.2999855700000000   0.0000000000000000  0.0000000000000000  0.3999578800000000   0.6666666700000000  0.3333333300000000  0.0500574700000000   0.0000000000000000  0.0000000000000000  0.8999578699999999   0.6666666700000000  0.3333333300000000  0.6500245000000000   0.6666666700000000  0.3333333300000000  0.9499307800000000   0.0000000000000000  0.0000000000000000  0.1000377400000000   0.3333333300000000  0.6666666700000000  0.4499307900000000   0.0000000000000000  0.0000000000000000  0.7499971800000000   0.3333333300000000  0.6666666700000000  0.1500244900000000   0.0000000000000000  0.0000000000000000  0.2499971900000000   0.6666666700000000  0.3333333300000000  0.5000001700000001   0.3333333300000000  0.6666666700000000  0.8499719700000000   0.6666666700000000  0.3333333300000000  0.2000130000000000   0.3333333300000000  0.6666666700000000  0.7000130000000000   0.3333333300000000  0.6666666700000000  0.0000001700000000   0.6666666700000000  0.3333333300000000  0.7624947300000000   0.6666666700000000  0.3333333300000000  0.1625216900000000   0.3333333300000000  0.6666666700000000  0.1125337300000000   0.3333333300000000  0.6666666700000000  0.6625216899999999   0.0000000000000000  0.0000000000000000  0.2125071700000000   0.6666666700000000  0.3333333300000000  0.9124538500000000   0.3333333300000000  0.6666666700000000  0.5125701100000000   0.0000000000000000  0.0000000000000000  0.7125071599999999   0.0000000000000000  0.0000000000000000  0.8624685300000000   0.6666666700000000  0.3333333300000000  0.3124810900000000   0.3333333300000000  0.6666666700000000  0.9624441700000000   0.6666666700000000  0.3333333300000000  0.0125701000000000   0.6666666700000000  0.3333333300000000  0.4624441600000000   0.6666666700000000  0.3333333300000000  0.6125337300000000   0.3333333300000000  0.6666666700000000  0.2624947200000000   0.3333333300000000  0.6666666700000000  0.8124810900000000   0.0000000000000000  0.0000000000000000  0.3624685400000000   0.3333333300000000  0.6666666700000000  0.4124538400000000   0.0000000000000000  0.0000000000000000  0.0625486400000000   0.0000000000000000  0.0000000000000000  0.5625486500000000vasp-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