# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1d8588f0-f7ac-4092-b9b3-0b4cad731822/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 556280](https://mdr.nims.go.jp/datasets/4b4acdb8-d904-4f2e-a4cb-83e19ad922cc)

## 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     3.7860162499999999    0.0000000000000000    0.0000000000000000    -1.8930081299999999    3.2787862500000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   61.8686517000000009 Zn S  20  20Direct   0.0000000000000000  0.0000000000000000  0.3499757200000000   0.0000000000000000  0.0000000000000000  0.9499480000000000   0.6666666700000000  0.3333333300000000  0.4000321100000000   0.3333333300000000  0.6666666700000000  0.1999295700000000   0.6666666700000000  0.3333333300000000  0.7000112300000000   0.3333333300000000  0.6666666700000000  0.0499629100000000   0.3333333300000000  0.6666666700000000  0.5000424100000000   0.3333333300000000  0.6666666700000000  0.6499481899999999   0.3333333300000000  0.6666666700000000  0.8999694100000000   0.6666666700000000  0.3333333300000000  0.1000052200000000   0.0000000000000000  0.0000000000000000  0.4500759100000000   0.6666666700000000  0.3333333300000000  0.9999031500000000   0.6666666700000000  0.3333333300000000  0.5500170900000000   0.0000000000000000  0.0000000000000000  0.5999923800000000   0.6666666700000000  0.3333333300000000  0.8499973300000000   0.0000000000000000  0.0000000000000000  0.1499719300000000   0.0000000000000000  0.0000000000000000  0.8000209000000000   0.3333333300000000  0.6666666700000000  0.3000249900000000   0.6666666700000000  0.3333333300000000  0.2499837100000000   0.3333333300000000  0.6666666700000000  0.7500505700000000   0.6666666700000000  0.3333333300000000  0.6624650599999999   0.0000000000000000  0.0000000000000000  0.3125157500000000   0.3333333300000000  0.6666666700000000  0.1624678100000000   0.3333333300000000  0.6666666700000000  0.7125785700000000   0.0000000000000000  0.0000000000000000  0.7625440100000000   0.6666666700000000  0.3333333300000000  0.9624417900000000   0.3333333300000000  0.6666666700000000  0.6124868800000001   0.0000000000000000  0.0000000000000000  0.9124689900000000   0.0000000000000000  0.0000000000000000  0.1124968100000000   0.3333333300000000  0.6666666700000000  0.0124186500000000   0.6666666700000000  0.3333333300000000  0.5125401500000000   0.3333333300000000  0.6666666700000000  0.2625530500000000   0.3333333300000000  0.6666666700000000  0.4625672600000000   0.6666666700000000  0.3333333300000000  0.2124415300000000   0.6666666700000000  0.3333333300000000  0.3624892600000000   0.0000000000000000  0.0000000000000000  0.4126020400000000   0.3333333300000000  0.6666666700000000  0.8624930600000000   0.6666666700000000  0.3333333300000000  0.0625324900000000   0.0000000000000000  0.0000000000000000  0.5625147100000000   0.6666666700000000  0.3333333300000000  0.8125194099999999vasp-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