# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/28203180-8458-4c2a-be97-ed071ab4d74c/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 555151](https://mdr.nims.go.jp/datasets/a4d3a459-5f0c-4f61-b36a-b9efcbf4c4ae)

## 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     3.7862882999999998    0.0000000000000000    0.0000000000000000    -1.8931441499999999    3.2790218599999998    0.0000000000000000     0.0000000000000000    0.0000000000000000   86.5973182900000040 Zn S  28  28Direct   0.6666666700000000  0.3333333300000000  0.9285395900000000   0.0000000000000000  0.0000000000000000  0.6785774000000000   0.0000000000000000  0.0000000000000000  0.3214193400000000   0.3333333300000000  0.6666666700000000  0.8571369500000000   0.0000000000000000  0.0000000000000000  0.1071570000000000   0.6666666700000000  0.3333333300000000  0.5357457999999999   0.6666666700000000  0.3333333300000000  0.4642419400000000   0.0000000000000000  0.0000000000000000  0.7857324700000000   0.6666666700000000  0.3333333300000000  0.3571676500000000   0.6666666700000000  0.3333333300000000  0.6428178400000000   0.3333333300000000  0.6666666700000000  0.3928597100000000   0.3333333300000000  0.6666666700000000  0.0357538600000000   0.6666666700000000  0.3333333300000000  0.7143269800000001   0.0000000000000000  0.0000000000000000  0.2142605500000000   0.6666666700000000  0.3333333300000000  0.2856583700000000   0.6666666700000000  0.3333333300000000  0.1785584500000000   0.0000000000000000  0.0000000000000000  0.8928362200000000   0.6666666700000000  0.3333333300000000  0.0714528600000000   0.3333333300000000  0.6666666700000000  0.9642304300000000   0.3333333300000000  0.6666666700000000  0.7500261800000000   0.3333333300000000  0.6666666700000000  0.4999992700000000   0.6666666700000000  0.3333333300000000  0.8214338100000000   0.0000000000000000  0.0000000000000000  0.9999972900000000   0.3333333300000000  0.6666666700000000  0.6071352500000000   0.0000000000000000  0.0000000000000000  0.4285585100000000   0.0000000000000000  0.0000000000000000  0.5714366700000000   0.3333333300000000  0.6666666700000000  0.1428556600000000   0.3333333300000000  0.6666666700000000  0.2499661700000000   0.6666666700000000  0.3333333300000000  0.7946589400000000   0.0000000000000000  0.0000000000000000  0.6517561500000000   0.3333333300000000  0.6666666700000000  0.5803612800000000   0.6666666700000000  0.3333333300000000  0.3303960900000000   0.3333333300000000  0.6666666700000000  0.2231904100000000   0.3333333300000000  0.6666666700000000  0.0089786200000000   0.3333333300000000  0.6666666700000000  0.7232515300000000   0.0000000000000000  0.0000000000000000  0.5446647200000000   0.0000000000000000  0.0000000000000000  0.9731733700000000   0.3333333300000000  0.6666666700000000  0.3660874100000000   0.0000000000000000  0.0000000000000000  0.4017850800000000   0.3333333300000000  0.6666666700000000  0.9374661100000000   0.6666666700000000  0.3333333300000000  0.9017640700000000   0.0000000000000000  0.0000000000000000  0.8660618300000000   0.6666666700000000  0.3333333300000000  0.1517833700000000   0.6666666700000000  0.3333333300000000  0.6875547300000000   0.6666666700000000  0.3333333300000000  0.4374808300000000   0.6666666700000000  0.3333333300000000  0.0446779700000000   0.0000000000000000  0.0000000000000000  0.0803810300000000   0.3333333300000000  0.6666666700000000  0.1160815900000000   0.0000000000000000  0.0000000000000000  0.7589551999999999   0.0000000000000000  0.0000000000000000  0.2945974600000000   0.6666666700000000  0.3333333300000000  0.5089746100000000   0.6666666700000000  0.3333333300000000  0.2588934500000000   0.6666666700000000  0.3333333300000000  0.6160567299999999   0.3333333300000000  0.6666666700000000  0.8303610900000000   0.0000000000000000  0.0000000000000000  0.1874848200000000   0.3333333300000000  0.6666666700000000  0.4731792800000000vasp-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