# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/4ee6684f-4efb-45e8-bde3-cab18dc6b602/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 554820](https://mdr.nims.go.jp/datasets/06074629-ea3e-4306-960d-2eaddfee6b58)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  28</c><c>Zn</c><c>     65.39000000</c><c>     12.00000000</c><c>  PAW_PBE Zn 06Sep2000                  </c></rc>    <rc><c>  28</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     3.7867004299999998    0.0000000000000000    0.0000000000000000    -1.8933502099999999    3.2793787800000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   86.5757349000000005 Zn S  28  28Direct   0.6666666700000000  0.3333333300000000  0.9285339000000000   0.0000000000000000  0.0000000000000000  0.6785675600000001   0.0000000000000000  0.0000000000000000  0.7857069700000000   0.3333333300000000  0.6666666700000000  0.8571244900000000   0.3333333300000000  0.6666666700000000  0.6428537200000000   0.6666666700000000  0.3333333300000000  0.6071430900000000   0.3333333300000000  0.6666666700000000  0.5357155800000000   0.6666666700000000  0.3333333300000000  0.1785851900000000   0.0000000000000000  0.0000000000000000  0.3571557100000000   0.3333333300000000  0.6666666700000000  0.4285732300000000   0.3333333300000000  0.6666666700000000  0.2143376600000000   0.0000000000000000  0.0000000000000000  0.4642857800000000   0.3333333300000000  0.6666666700000000  0.1428221200000000   0.0000000000000000  0.0000000000000000  0.1071382600000000   0.6666666700000000  0.3333333300000000  0.7142806300000000   0.6666666700000000  0.3333333300000000  0.3928621800000000   0.3333333300000000  0.6666666700000000  0.3214472400000000   0.6666666700000000  0.3333333300000000  0.2857435700000000   0.0000000000000000  0.0000000000000000  0.8928274500000000   0.6666666700000000  0.3333333300000000  0.0714358100000000   0.3333333300000000  0.6666666700000000  0.9642229700000000   0.6666666700000000  0.3333333300000000  0.8214150200000000   0.0000000000000000  0.0000000000000000  0.9999883400000000   0.6666666700000000  0.3333333300000000  0.4999996100000000   0.3333333300000000  0.6666666700000000  0.0357421500000000   0.0000000000000000  0.0000000000000000  0.5714277000000000   0.3333333300000000  0.6666666700000000  0.7499939200000000   0.0000000000000000  0.0000000000000000  0.2500360000000000   0.6666666700000000  0.3333333300000000  0.7946342100000000   0.0000000000000000  0.0000000000000000  0.6517844100000000   0.3333333300000000  0.6666666700000000  0.1875611300000000   0.3333333300000000  0.6666666700000000  0.0089652500000000   0.0000000000000000  0.0000000000000000  0.5446450400000000   0.0000000000000000  0.0000000000000000  0.9731604800000000   0.6666666700000000  0.3333333300000000  0.3660818400000000   0.6666666700000000  0.3333333300000000  0.1517580500000000   0.0000000000000000  0.0000000000000000  0.0803594400000000   0.6666666700000000  0.3333333300000000  0.5803592700000000   0.6666666700000000  0.3333333300000000  0.9017536200000000   0.0000000000000000  0.0000000000000000  0.8660484600000000   0.6666666700000000  0.3333333300000000  0.6874975300000000   0.3333333300000000  0.6666666700000000  0.1160565700000000   0.6666666700000000  0.3333333300000000  0.4732163100000000   0.3333333300000000  0.6666666700000000  0.6160718000000001   0.0000000000000000  0.0000000000000000  0.3303746400000000   0.0000000000000000  0.0000000000000000  0.2232574500000000   0.3333333300000000  0.6666666700000000  0.4017910500000000   0.0000000000000000  0.0000000000000000  0.7589239800000001   0.6666666700000000  0.3333333300000000  0.2589626500000000   0.6666666700000000  0.3333333300000000  0.0446592300000000   0.3333333300000000  0.6666666700000000  0.2946678800000000   0.3333333300000000  0.6666666700000000  0.7232109799999999   0.3333333300000000  0.6666666700000000  0.9374555200000000   0.3333333300000000  0.6666666700000000  0.5089312900000000   0.0000000000000000  0.0000000000000000  0.4375028700000000   0.3333333300000000  0.6666666700000000  0.8303431800000000vasp-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