# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/41b845ec-f0a2-4a5c-a089-f67313ff7627/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 553880](https://mdr.nims.go.jp/datasets/9f2626af-fc38-47de-9a8a-2fef176da661)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  26</c><c>Zn</c><c>     65.39000000</c><c>     12.00000000</c><c>  PAW_PBE Zn 06Sep2000                  </c></rc>    <rc><c>  26</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     3.7857753299999999    0.0000000000000000    0.0000000000000000    -1.8928876699999999    3.2785776200000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   80.4376762100000064 Zn S  26  26Direct   0.6666666700000000  0.3333333300000000  0.3076448800000000   0.0000000000000000  0.0000000000000000  0.8846243700000000   0.6666666700000000  0.3333333300000000  0.5384504800000001   0.3333333300000000  0.6666666700000000  0.2307338300000000   0.3333333300000000  0.6666666700000000  0.3461451800000000   0.0000000000000000  0.0000000000000000  0.7692457699999999   0.6666666700000000  0.3333333300000000  0.0384386500000000   0.3333333300000000  0.6666666700000000  0.1153616500000000   0.3333333300000000  0.6666666700000000  0.9615068000000000   0.6666666700000000  0.3333333300000000  0.8077409500000000   0.0000000000000000  0.0000000000000000  0.1922285700000000   0.0000000000000000  0.0000000000000000  0.2692227900000000   0.6666666700000000  0.3333333300000000  0.9230628200000000   0.3333333300000000  0.6666666700000000  0.5769517800000000   0.6666666700000000  0.3333333300000000  0.1538036600000000   0.0000000000000000  0.0000000000000000  0.4230466500000000   0.3333333300000000  0.6666666700000000  0.4615475000000000   0.0000000000000000  0.0000000000000000  0.9999329400000000   0.3333333300000000  0.6666666700000000  0.6923150300000001   0.3333333300000000  0.6666666700000000  0.8461781700000000   0.6666666700000000  0.3333333300000000  0.7307417700000001   0.0000000000000000  0.0000000000000000  0.0769283100000000   0.6666666700000000  0.3333333300000000  0.3846349400000000   0.0000000000000000  0.0000000000000000  0.5000326800000000   0.6666666700000000  0.3333333300000000  0.6154404499999999   0.0000000000000000  0.0000000000000000  0.6538745000000000   0.0000000000000000  0.0000000000000000  0.9711198200000000   0.0000000000000000  0.0000000000000000  0.2404016900000000   0.3333333300000000  0.6666666700000000  0.3172698100000000   0.3333333300000000  0.6666666700000000  0.6634893900000001   0.6666666700000000  0.3333333300000000  0.7789170100000000   0.3333333300000000  0.6666666700000000  0.2018562800000000   0.6666666700000000  0.3333333300000000  0.2788316000000000   0.0000000000000000  0.0000000000000000  0.3942376800000000   0.3333333300000000  0.6666666700000000  0.9326792699999999   0.3333333300000000  0.6666666700000000  0.0865372200000000   0.3333333300000000  0.6666666700000000  0.5480760700000000   0.6666666700000000  0.3333333300000000  0.8942374500000000   0.6666666700000000  0.3333333300000000  0.1249771300000000   0.6666666700000000  0.3333333300000000  0.7019279600000000   0.0000000000000000  0.0000000000000000  0.0481070100000000   0.6666666700000000  0.3333333300000000  0.5096392000000001   0.6666666700000000  0.3333333300000000  0.0095610500000000   0.3333333300000000  0.6666666700000000  0.8173520500000000   0.0000000000000000  0.0000000000000000  0.1634160000000000   0.0000000000000000  0.0000000000000000  0.7403685300000000   0.6666666700000000  0.3333333300000000  0.5866191199999999   0.0000000000000000  0.0000000000000000  0.8557959200000000   0.0000000000000000  0.0000000000000000  0.4712130200000000   0.3333333300000000  0.6666666700000000  0.4326715300000000   0.0000000000000000  0.0000000000000000  0.6250495500000000   0.6666666700000000  0.3333333300000000  0.3558134700000000vasp-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