# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/9fc02b74-bb9b-4470-9155-944f51936742/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 Zn2Ge3O8 / P4_332 (212) / materials id 27843](https://mdr.nims.go.jp/datasets/13036ceb-8a7d-4b0d-b607-1dbb521f8ead)

## 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>Zn</c><c>     65.39000000</c><c>     12.00000000</c><c>  PAW_PBE Zn 06Sep2000                  </c></rc>    <rc><c>  12</c><c>Ge</c><c>     72.61000000</c><c>     14.00000000</c><c>  PAW_PBE Ge_d 03Jul2007                </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 Zn Ge   1.0     8.2404399200000000    0.0000000000000000    0.0000000000000000     0.0000000000000000    8.2404399200000000    0.0000000000000000     0.0000000000000000    0.0000000000000000    8.2404399200000000 O Zn Ge  32   8  12Direct   0.8618357900000000  0.8618357900000000  0.8618357900000000   0.6118357900000000  0.8881642100000000  0.1118357900000000   0.8881642100000000  0.1118357900000000  0.6118357900000000   0.1118357900000000  0.6118357900000000  0.8881642100000000   0.3618357900000000  0.6381642100000000  0.1381642100000000   0.6381642100000000  0.1381642100000000  0.3618357900000000   0.1381642100000000  0.3618357900000000  0.6381642100000000   0.3881642100000000  0.3881642100000000  0.3881642100000000   0.1501820000000000  0.8546390400000000  0.1110210500000000   0.6501820000000000  0.6453609600000000  0.8889789500000000   0.8546390400000000  0.1110210500000000  0.1501820000000000   0.1453609600000000  0.6110210500000000  0.3498180000000000   0.1110210500000000  0.1501820000000000  0.8546390400000000   0.3889789500000000  0.8498180000000000  0.3546390400000000   0.4001820000000000  0.8610210500000000  0.8953609600000000   0.9001820000000000  0.6389789500000000  0.1046390400000000   0.5998180000000000  0.3610210500000000  0.6046390400000000   0.6389789500000000  0.1046390400000000  0.9001820000000000   0.6046390400000000  0.5998180000000000  0.3610210500000000   0.1046390400000000  0.9001820000000000  0.6389789500000000   0.0998180000000000  0.1389789500000000  0.3953609600000000   0.8498180000000000  0.3546390400000000  0.3889789500000000   0.3498180000000000  0.1453609600000000  0.6110210500000000   0.6453609600000000  0.8889789500000000  0.6501820000000000   0.3546390400000000  0.3889789500000000  0.8498180000000000   0.6110210500000000  0.3498180000000000  0.1453609600000000   0.8889789500000000  0.6501820000000000  0.6453609600000000   0.3953609600000000  0.0998180000000000  0.1389789500000000   0.1389789500000000  0.3953609600000000  0.0998180000000000   0.3610210500000000  0.6046390400000000  0.5998180000000000   0.8953609600000000  0.4001820000000000  0.8610210500000000   0.8610210500000000  0.8953609600000000  0.4001820000000000   0.2484413600000000  0.2484413600000000  0.2484413600000000   0.9984413600000001  0.5015586399999998  0.4984413600000000   0.5015586399999998  0.4984413600000000  0.9984413600000001   0.4984413600000000  0.9984413600000001  0.5015586399999998   0.7484413599999999  0.2515586400000000  0.7515586400000001   0.2515586400000000  0.7515586400000001  0.7484413599999999   0.7515586400000001  0.7484413599999999  0.2515586400000000   0.0015586400000000  0.0015586400000000  0.0015586400000000   0.6250000000000000  0.1295647800000000  0.1204352200000000   0.6204352200000001  0.8750000000000000  0.8704352200000001   0.6295647799999999  0.3795647800000000  0.3750000000000000   0.3704352200000000  0.8795647800000000  0.1250000000000000   0.8795647800000000  0.1250000000000000  0.3704352200000000   0.1204352200000000  0.6250000000000000  0.1295647800000000   0.3795647800000000  0.3750000000000000  0.6295647799999999   0.8704352200000001  0.6204352200000001  0.8750000000000000   0.1295647800000000  0.1204352200000000  0.6250000000000000   0.3750000000000000  0.6295647799999999  0.3795647800000000   0.8750000000000000  0.8704352200000001  0.6204352200000001   0.1250000000000000  0.3704352200000000  0.8795647800000000vasp-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