# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d1e78b1c-2867-40fc-bce0-0268e6b0249c/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 557009](https://mdr.nims.go.jp/datasets/42fd74ea-3384-4172-b147-8309e334574e)

## 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     3.7854326199999999    0.0000000000000000    0.0000000000000000    -1.8927163100000000    3.2782808100000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   61.8912041299999984 Zn S  20  20Direct   0.6666666700000000  0.3333333300000000  0.5499626000000000   0.3333333300000000  0.6666666700000000  0.2999656400000000   0.3333333300000000  0.6666666700000000  0.8000657600000000   0.0000000000000000  0.0000000000000000  0.8500159100000000   0.6666666700000000  0.3333333300000000  0.1000312900000000   0.3333333300000000  0.6666666700000000  0.0499812900000000   0.0000000000000000  0.0000000000000000  0.4499815900000000   0.0000000000000000  0.0000000000000000  0.2000314100000000   0.6666666700000000  0.3333333300000000  0.2499976400000000   0.6666666700000000  0.3333333300000000  0.8999710200000000   0.0000000000000000  0.0000000000000000  0.3499128900000000   0.3333333300000000  0.6666666700000000  0.5999728300000000   0.6666666700000000  0.3333333300000000  0.3999538400000000   0.0000000000000000  0.0000000000000000  0.9999640400000001   0.3333333300000000  0.6666666700000000  0.9499178300000000   0.3333333300000000  0.6666666700000000  0.7000125699999999   0.0000000000000000  0.0000000000000000  0.6500064600000000   0.6666666700000000  0.3333333300000000  0.7500442899999999   0.3333333300000000  0.6666666700000000  0.1500651300000000   0.3333333300000000  0.6666666700000000  0.4999181400000000   0.3333333300000000  0.6666666700000000  0.6625713000000000   0.3333333300000000  0.6666666700000000  0.1126039100000000   0.0000000000000000  0.0000000000000000  0.4125221700000000   0.6666666700000000  0.3333333300000000  0.8625098600000000   0.3333333300000000  0.6666666700000000  0.2625001500000000   0.3333333300000000  0.6666666700000000  0.9124687600000000   0.0000000000000000  0.0000000000000000  0.9624336800000000   0.6666666700000000  0.3333333300000000  0.7125183600000000   0.6666666700000000  0.3333333300000000  0.2125317100000000   0.3333333300000000  0.6666666700000000  0.0125359700000000   0.6666666700000000  0.3333333300000000  0.3624258100000000   0.3333333300000000  0.6666666700000000  0.7626092600000001   0.6666666700000000  0.3333333300000000  0.0624979300000000   0.0000000000000000  0.0000000000000000  0.6124804500000001   0.6666666700000000  0.3333333300000000  0.5124335800000002   0.3333333300000000  0.6666666700000000  0.5625299900000000   0.0000000000000000  0.0000000000000000  0.8125546700000000   0.0000000000000000  0.0000000000000000  0.1625640300000000   0.3333333300000000  0.6666666700000000  0.4624721000000000   0.0000000000000000  0.0000000000000000  0.3124641700000000vasp-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