# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d235544e-d296-4ed8-a3ef-f2cc8739fbbb/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 556207](https://mdr.nims.go.jp/datasets/d3483394-8baf-4942-b1bc-a9ad2ea26ae6)

## 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     3.7854539599999999    0.0000000000000000    0.0000000000000000    -1.8927269799999999    3.2782993000000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   61.8907853099999983 Zn S  20  20Direct   0.0000000000000000  0.0000000000000000  0.6000189100000000   0.3333333300000000  0.6666666700000000  0.5499810700000001   0.3333333300000000  0.6666666700000000  0.6500398100000000   0.3333333300000000  0.6666666700000000  0.7999953900000000   0.6666666700000000  0.3333333300000000  0.1999969500000000   0.6666666700000000  0.3333333300000000  0.3499945500000000   0.0000000000000000  0.0000000000000000  0.4000138500000000   0.6666666700000000  0.3333333300000000  0.0499823100000000   0.6666666700000000  0.3333333300000000  0.9000046400000000   0.0000000000000000  0.0000000000000000  0.1000148400000000   0.3333333300000000  0.6666666700000000  0.4499472500000000   0.6666666700000000  0.3333333300000000  0.6999971400000000   0.0000000000000000  0.0000000000000000  0.9999295900000000   0.3333333300000000  0.6666666700000000  0.9499791500000000   0.0000000000000000  0.0000000000000000  0.8500378600000000   0.3333333300000000  0.6666666700000000  0.1499530600000000   0.0000000000000000  0.0000000000000000  0.7499411499999999   0.0000000000000000  0.0000000000000000  0.2999535500000000   0.6666666700000000  0.3333333300000000  0.4999791000000000   0.3333333300000000  0.6666666700000000  0.2500163600000000   0.0000000000000000  0.0000000000000000  0.3625581300000000   0.3333333300000000  0.6666666700000000  0.1125060700000000   0.6666666700000000  0.3333333300000000  0.1624670400000000   0.0000000000000000  0.0000000000000000  0.9624785800000000   0.0000000000000000  0.0000000000000000  0.5624896699999999   0.3333333300000000  0.6666666700000000  0.9125100500000000   0.3333333300000000  0.6666666700000000  0.7624606200000000   0.0000000000000000  0.0000000000000000  0.2625071500000000   0.0000000000000000  0.0000000000000000  0.7124923100000000   0.6666666700000000  0.3333333300000000  0.3124659200000000   0.6666666700000000  0.3333333300000000  0.0124493100000000   0.6666666700000000  0.3333333300000000  0.4624534300000000   0.6666666700000000  0.3333333300000000  0.6625328800000000   0.3333333300000000  0.6666666700000000  0.4125021000000000   0.3333333300000000  0.6666666700000000  0.5125406600000000   0.3333333300000000  0.6666666700000000  0.6125840600000000   0.6666666700000000  0.3333333300000000  0.8625380800000000   0.3333333300000000  0.6666666700000000  0.2125601800000000   0.0000000000000000  0.0000000000000000  0.0625541500000000   0.0000000000000000  0.0000000000000000  0.8125731400000000vasp-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