# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d0944c1e-ad24-49e0-8c73-c414c0234abe/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 / R3m (160) / materials id 556468](https://mdr.nims.go.jp/datasets/9bccb1ab-5390-4837-8a9a-33f89d19abc9)

## 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     3.7857032799999999    0.0000000000000000    0.0000000000000000    -1.8928516500000001    3.2785152200000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   74.2557084799999956 Zn S  24  24Direct   0.0000000000000000  0.0000000000000000  0.2916988000000000   0.6666666700000000  0.3333333300000000  0.0417014100000000   0.3333333300000000  0.6666666700000000  0.0833393600000000   0.3333333300000000  0.6666666700000000  0.2083081100000000   0.0000000000000000  0.0000000000000000  0.0000768400000000   0.6666666700000000  0.3333333300000000  0.1666124500000000   0.6666666700000000  0.3333333300000000  0.2500158300000000   0.0000000000000000  0.0000000000000000  0.1249774100000000   0.6666666700000000  0.3333333300000000  0.6250321400000001   0.3333333300000000  0.6666666700000000  0.3750347400000000   0.0000000000000000  0.0000000000000000  0.4166726900000000   0.0000000000000000  0.0000000000000000  0.5416414500000000   0.6666666700000000  0.3333333300000000  0.3334101700000000   0.3333333300000000  0.6666666700000000  0.4999457800000000   0.3333333300000000  0.6666666700000000  0.5833491700000000   0.6666666700000000  0.3333333300000000  0.4583107400000000   0.3333333300000000  0.6666666700000000  0.9583654699999999   0.0000000000000000  0.0000000000000000  0.7083680700000000   0.6666666700000000  0.3333333300000000  0.7500060200000001   0.6666666700000000  0.3333333300000000  0.8749747800000001   0.3333333300000000  0.6666666700000000  0.6667434999999999   0.0000000000000000  0.0000000000000000  0.8332791100000000   0.0000000000000000  0.0000000000000000  0.9166825000000000   0.3333333300000000  0.6666666700000000  0.7916440800000000   0.3333333300000000  0.6666666700000000  0.2395894100000000   0.0000000000000000  0.0000000000000000  0.1562022000000000   0.6666666700000000  0.3333333300000000  0.0729261000000000   0.6666666700000000  0.3333333300000000  0.1978342500000000   0.3333333300000000  0.6666666700000000  0.1145642200000000   0.0000000000000000  0.0000000000000000  0.3229802700000000   0.0000000000000000  0.0000000000000000  0.0312889500000000   0.6666666700000000  0.3333333300000000  0.2812250400000000   0.0000000000000000  0.0000000000000000  0.5729227400000000   0.6666666700000000  0.3333333300000000  0.4895355400000000   0.3333333300000000  0.6666666700000000  0.4062594400000000   0.3333333300000000  0.6666666700000000  0.5311675900000000   0.0000000000000000  0.0000000000000000  0.4478975600000000   0.6666666700000000  0.3333333300000000  0.6563136000000001   0.6666666700000000  0.3333333300000000  0.3646222900000000   0.3333333300000000  0.6666666700000000  0.6145583800000001   0.6666666700000000  0.3333333300000000  0.9062560700000000   0.3333333300000000  0.6666666700000000  0.8228688700000000   0.0000000000000000  0.0000000000000000  0.7395927700000000   0.0000000000000000  0.0000000000000000  0.8645009200000000   0.6666666700000000  0.3333333300000000  0.7812308900000000   0.3333333300000000  0.6666666700000000  0.9896469300000000   0.3333333300000000  0.6666666700000000  0.6979556200000000   0.0000000000000000  0.0000000000000000  0.9478917100000001vasp-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