# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/bfb44c8a-1654-4d9e-a67d-76a215bd2f05/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 Mg(GaO2)2 / Cm (8) / materials id 530121](https://mdr.nims.go.jp/datasets/b29bc2a6-30bc-4693-a06e-98a4bac94e09)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     3     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</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>Mg</c><c>     24.30500000</c><c>      8.00000000</c><c>  PAW_PBE Mg_pv 13Apr2007               </c></rc>    <rc><c>  96</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 = 525.107700     EDIFF = 1.000000e-08    EDIFFG = -1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      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0.7309152600000000   0.3290113800000000  0.0000000000000000  0.9754990600000000   0.2577994600000000  0.2402962600000000  0.8095281700000000   0.4073623900000000  0.7584270100000000  0.8973794600000000   0.2577994600000000  0.7597037400000000  0.8095281700000000   0.1697055900000000  0.0000000000000000  0.8977357300000000   0.8203121600000001  0.0000000000000000  0.9761883000000000   0.5956042200000000  0.2291085200000000  0.9769498200000000   0.6691937100000001  0.0000000000000000  0.8956989200000000   0.5956042200000000  0.7708914800000000  0.9769498200000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 525.107700     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     3     1 0.000 0.000 0.000