# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d12483e5-f6e9-4c79-bb97-052d03eae606/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 In7GeIrO8 / F-43m (216) / materials id 558992](https://mdr.nims.go.jp/datasets/de413370-714d-40de-a3d4-ee36c4a502c5)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  28</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>Ge</c><c>     72.61000000</c><c>     14.00000000</c><c>  PAW_PBE Ge_d 03Jul2007                </c></rc>    <rc><c>   4</c><c>Ir</c><c>    192.22000000</c><c>      9.00000000</c><c>  PAW_PBE Ir 06Sep2000                  </c></rc>    <rc><c>  32</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </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 In Ge Ir O   1.0    10.1557609099999997    0.0000000000000000   -0.0000000000000000     0.0000000000000000   10.1557609099999997    0.0000000000000000    -0.0000000000000000    0.0000000000000000   10.1557609099999997 In Ge Ir O  28   4   4  32Direct   0.5000000000000000  0.0000000000000000  0.7501872300000000   0.0000000000000000  0.5000000000000000  0.2498127700000000   0.0000000000000000  0.2501872300000000  0.0000000000000000   0.7498127700000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.2498127700000000  0.0000000000000000   0.2501872300000000  0.0000000000000000  0.0000000000000000   0.2500000000000000  0.2500000000000000  0.7500000000000000   0.5000000000000000  0.5000000000000000  0.2501872300000000   0.0000000000000000  0.0000000000000000  0.7498127700000000   0.0000000000000000  0.7501872300000000  0.5000000000000000   0.7498127700000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.7498127700000000  0.5000000000000000   0.2501872300000000  0.5000000000000000  0.5000000000000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.2501872300000000   0.5000000000000000  0.5000000000000000  0.7498127700000000   0.5000000000000000  0.2501872300000000  0.5000000000000000   0.2498127700000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.2498127700000000  0.5000000000000000   0.7501872300000000  0.0000000000000000  0.5000000000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.7501872300000000   0.5000000000000000  0.0000000000000000  0.2498127700000000   0.5000000000000000  0.7501872300000000  0.0000000000000000   0.2498127700000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.7498127700000000  0.0000000000000000   0.7501872300000000  0.5000000000000000  0.0000000000000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.2500000000000000  0.2500000000000000  0.2500000000000000   0.2500000000000000  0.7500000000000000  0.7500000000000000   0.7500000000000000  0.2500000000000000  0.7500000000000000   0.7500000000000000  0.7500000000000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.6483449299999999  0.1483449300000000  0.8516550700000000   0.3706040700000000  0.1293959300000000  0.8706040700000000   0.3516550700000000  0.1483449300000000  0.1483449300000000   0.8706040700000000  0.3706040700000000  0.1293959300000000   0.1483449300000000  0.3516550700000000  0.1483449300000000   0.1293959300000000  0.3706040700000000  0.8706040700000000   0.8516550700000000  0.3516550700000000  0.8516550700000000   0.6293959300000000  0.1293959300000000  0.1293959300000000   0.6483449299999999  0.6483449299999999  0.3516550700000000   0.3706040700000000  0.6293959300000000  0.3706040700000000   0.3516550700000000  0.6483449299999999  0.6483449299999999   0.8706040700000000  0.8706040700000000  0.6293959300000000   0.1483449300000000  0.8516550700000000  0.6483449299999999   0.1293959300000000  0.8706040700000000  0.3706040700000000   0.8516550700000000  0.8516550700000000  0.3516550700000000   0.6293959300000000  0.6293959300000000  0.6293959300000000   0.1483449300000000  0.1483449300000000  0.3516550700000000   0.8706040700000000  0.1293959300000000  0.3706040700000000   0.8516550700000000  0.1483449300000000  0.6483449299999999   0.3706040700000000  0.3706040700000000  0.6293959300000000   0.6483449299999999  0.3516550700000000  0.6483449299999999   0.6293959300000000  0.3706040700000000  0.3706040700000000   0.3516550700000000  0.3516550700000000  0.3516550700000000   0.1293959300000000  0.1293959300000000  0.6293959300000000   0.1483449300000000  0.6483449299999999  0.8516550700000000   0.8706040700000000  0.6293959300000000  0.8706040700000000   0.8516550700000000  0.6483449299999999  0.1483449300000000   0.3706040700000000  0.8706040700000000  0.1293959300000000   0.6483449299999999  0.8516550700000000  0.1483449300000000   0.6293959300000000  0.8706040700000000  0.8706040700000000   0.3516550700000000  0.8516550700000000  0.8516550700000000   0.1293959300000000  0.6293959300000000  0.1293959300000000vasp-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