# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/6e9c9232-6d35-4114-8ed8-baef33c7708b/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 554889](https://mdr.nims.go.jp/datasets/07f72b38-40e8-4678-97ad-c562c3894636)

## 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     3.7852418800000001    0.0000000000000000    0.0000000000000000    -1.8926209400000000    3.2781156299999998    0.0000000000000000     0.0000000000000000    0.0000000000000000   74.2788749300000006 Zn S  24  24Direct   0.3333333300000000  0.6666666700000000  0.8333177600000000   0.6666666700000000  0.3333333300000000  0.7917019600000000   0.3333333300000000  0.6666666700000000  0.3333365900000000   0.6666666700000000  0.3333333300000000  0.2917220800000000   0.0000000000000000  0.0000000000000000  0.3749592200000000   0.6666666700000000  0.3333333300000000  0.2083241900000000   0.6666666700000000  0.3333333300000000  0.7083052900000000   0.3333333300000000  0.6666666700000000  0.0833189700000000   0.0000000000000000  0.0000000000000000  0.5417006599999998   0.3333333300000000  0.6666666700000000  0.9167064500000000   0.0000000000000000  0.0000000000000000  0.1250061900000000   0.3333333300000000  0.6666666700000000  0.1667083700000000   0.6666666700000000  0.3333333300000000  0.0417060700000000   0.0000000000000000  0.0000000000000000  0.8750053900000000   0.6666666700000000  0.3333333300000000  0.4166404400000000   0.0000000000000000  0.0000000000000000  0.6250682300000000   0.6666666700000000  0.3333333300000000  0.9583188500000001   0.0000000000000000  0.0000000000000000  0.4583365700000000   0.6666666700000000  0.3333333300000000  0.5833689300000000   0.0000000000000000  0.0000000000000000  0.2500167000000000   0.3333333300000000  0.6666666700000000  0.6666785700000000   0.3333333300000000  0.6666666700000000  0.5000046899999999   0.0000000000000000  0.0000000000000000  0.0000051500000000   0.0000000000000000  0.0000000000000000  0.7499944199999999   0.3333333300000000  0.6666666700000000  0.9479089900000000   0.0000000000000000  0.0000000000000000  0.4895344300000000   0.0000000000000000  0.0000000000000000  0.4061694600000000   0.0000000000000000  0.0000000000000000  0.6562688800000001   0.3333333300000000  0.6666666700000000  0.6978940300000001   0.6666666700000000  0.3333333300000000  0.4479115000000000   0.0000000000000000  0.0000000000000000  0.0312769300000000   0.3333333300000000  0.6666666700000000  0.5312756000000001   0.6666666700000000  0.3333333300000000  0.9895314100000000   0.0000000000000000  0.0000000000000000  0.7812689200000000   0.0000000000000000  0.0000000000000000  0.5728984300000000   0.0000000000000000  0.0000000000000000  0.9062773000000000   0.6666666700000000  0.3333333300000000  0.7395186000000000   0.0000000000000000  0.0000000000000000  0.2812905200000000   0.3333333300000000  0.6666666700000000  0.3645509000000000   0.6666666700000000  0.3333333300000000  0.0729088600000000   0.3333333300000000  0.6666666700000000  0.1145318700000000   0.3333333300000000  0.6666666700000000  0.8645310800000000   0.6666666700000000  0.3333333300000000  0.8229061400000000   0.0000000000000000  0.0000000000000000  0.1562783400000000   0.6666666700000000  0.3333333300000000  0.2395390900000000   0.6666666700000000  0.3333333300000000  0.6146401400000000   0.6666666700000000  0.3333333300000000  0.3229247400000000   0.3333333300000000  0.6666666700000000  0.1979120800000000vasp-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