# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8aa0c4f9-fb52-464f-b36e-f6473c0c8211/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 In6Ga2PtO8 / Fm-3m (225) / materials id 21084](https://mdr.nims.go.jp/datasets/5b4279e1-9201-4610-84ae-8dc7fab0891b)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>   8</c><c>Ga</c><c>     69.72300000</c><c>     13.00000000</c><c>  PAW_PBE Ga_d 06Jul2010                </c></rc>    <rc><c>  24</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>   4</c><c>Pt</c><c>    195.08000000</c><c>     10.00000000</c><c>  PAW_PBE Pt 04Feb2005                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 520.000000     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 O Ga In Pt   1.0    10.0272496600000007    0.0000000000000000    0.0000000000000000     0.0000000000000000   10.0272496600000007    0.0000000000000000     0.0000000000000000    0.0000000000000000   10.0272496600000007 O Ga In Pt  32   8  24   4Direct   0.3589695700000000  0.8589695700000000  0.1410304300000000   0.3589695700000000  0.1410304300000000  0.1410304300000000   0.6410304300000000  0.8589695700000000  0.1410304300000000   0.3589695700000000  0.8589695700000000  0.8589695700000000   0.3589695700000000  0.1410304300000000  0.8589695700000000   0.6410304300000000  0.1410304300000000  0.1410304300000000   0.6410304300000000  0.8589695700000000  0.8589695700000000   0.6410304300000000  0.1410304300000000  0.8589695700000000   0.3589695700000000  0.3589695700000000  0.6410304300000000   0.3589695700000000  0.6410304300000000  0.6410304300000000   0.6410304300000000  0.3589695700000000  0.6410304300000000   0.3589695700000000  0.3589695700000000  0.3589695700000000   0.3589695700000000  0.6410304300000000  0.3589695700000000   0.6410304300000000  0.6410304300000000  0.6410304300000000   0.6410304300000000  0.3589695700000000  0.3589695700000000   0.6410304300000000  0.6410304300000000  0.3589695700000000   0.8589695700000000  0.8589695700000000  0.6410304300000000   0.8589695700000000  0.1410304300000000  0.6410304300000000   0.1410304300000000  0.8589695700000000  0.6410304300000000   0.8589695700000000  0.8589695700000000  0.3589695700000000   0.8589695700000000  0.1410304300000000  0.3589695700000000   0.1410304300000000  0.1410304300000000  0.6410304300000000   0.1410304300000000  0.8589695700000000  0.3589695700000000   0.1410304300000000  0.1410304300000000  0.3589695700000000   0.8589695700000000  0.3589695700000000  0.1410304300000000   0.8589695700000000  0.6410304300000000  0.1410304300000000   0.1410304300000000  0.3589695700000000  0.1410304300000000   0.8589695700000000  0.3589695700000000  0.8589695700000000   0.8589695700000000  0.6410304300000000  0.8589695700000000   0.1410304300000000  0.6410304300000000  0.1410304300000000   0.1410304300000000  0.3589695700000000  0.8589695700000000   0.1410304300000000  0.6410304300000000  0.8589695700000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.2500000000000000  0.2500000000000000  0.2500000000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.2500000000000000  0.7500000000000000  0.7500000000000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.7500000000000000  0.2500000000000000  0.7500000000000000   0.2500000000000000  0.2500000000000000  0.7500000000000000   0.7500000000000000  0.7500000000000000  0.2500000000000000   0.5000000000000000  0.0000000000000000  0.2467857800000000   0.7467857800000000  0.0000000000000000  0.0000000000000000   0.2532142200000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.2467857800000000  0.0000000000000000   0.5000000000000000  0.7532142200000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.7532142200000000   0.5000000000000000  0.5000000000000000  0.7467857800000000   0.7467857800000000  0.5000000000000000  0.5000000000000000   0.2532142200000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.7467857800000000  0.5000000000000000   0.5000000000000000  0.2532142200000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.2532142200000000   0.0000000000000000  0.0000000000000000  0.7467857800000000   0.2467857800000000  0.0000000000000000  0.5000000000000000   0.7532142200000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.2467857800000000  0.5000000000000000   0.0000000000000000  0.7532142200000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.2532142200000000   0.0000000000000000  0.5000000000000000  0.2467857800000000   0.2467857800000000  0.5000000000000000  0.0000000000000000   0.7532142200000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.7467857800000000  0.0000000000000000   0.0000000000000000  0.2532142200000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.7532142200000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 520.000000     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     2     2     2 0.000 0.000 0.000