# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/3f2b79d8-cfe4-41db-8fbc-5d4b2b673b37/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 Ho2Ge2O7 / P4_12_12 (92) / materials id 560082](https://mdr.nims.go.jp/datasets/0bcd6020-5f68-426e-a101-0d7926952dae)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     3     3     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>   8</c><c>Ho</c><c>    164.93000000</c><c>      9.00000000</c><c>  PAW_PBE Ho_3 06Sep2000                </c></rc>    <rc><c>   8</c><c>Ge</c><c>     72.61000000</c><c>     14.00000000</c><c>  PAW_PBE Ge_d 03Jul2007                </c></rc>    <rc><c>  28</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 Ho Ge O   1.0     6.7676960499999996    0.0000000000000000    0.0000000000000000     0.0000000000000000    6.7676960499999996    0.0000000000000000     0.0000000000000000    0.0000000000000000   12.3186827399999999 Ho Ge O   8   8  28Direct   0.8542706700000000  0.6269203600000000  0.8857029300000000   0.3542706700000000  0.8730796400000000  0.8642970700000000   0.3730796400000000  0.1457293300000000  0.6142970700000000   0.6457293300000000  0.1269203600000000  0.3642970700000000   0.1457293300000000  0.3730796400000000  0.3857029300000000   0.1269203600000000  0.6457293300000000  0.6357029300000000   0.6269203600000000  0.8542706700000000  0.1142970700000000   0.8730796400000000  0.3542706700000000  0.1357029300000000   0.3996169100000000  0.3490791500000000  0.1316532200000000   0.6509208500000000  0.6003830900000000  0.3683467800000000   0.6003830900000000  0.6509208500000000  0.6316532200000000   0.1003830900000000  0.8490791500000000  0.1183467800000000   0.8490791500000000  0.1003830900000000  0.8816532200000000   0.1509208500000000  0.8996169100000000  0.3816532200000000   0.8996169100000000  0.1509208500000000  0.6183467800000000   0.3490791500000000  0.3996169100000000  0.8683467800000000   0.3562008400000000  0.1802057600000000  0.7940912099999999   0.0786221900000000  0.9656810000000000  0.6216195000000000   0.6802057600000000  0.1437991600000000  0.5440912099999999   0.6622625100000000  0.9338435400000000  0.9289220499999999   0.3377374900000000  0.0661564600000000  0.4289220500000000   0.4338435400000000  0.8377374900000000  0.6789220499999999   0.5343190000000000  0.5786221899999999  0.8716195000000000   0.4213778100000000  0.4656810000000000  0.6283805000000000   0.1971515100000000  0.8028484900000000  0.2500000000000000   0.5786221899999999  0.5343190000000000  0.1283805000000000   0.3028484900000000  0.3028484900000000  0.0000000000000000   0.9213778100000000  0.0343190000000000  0.1216195000000000   0.1437991600000000  0.6802057600000000  0.4559087900000000   0.9338435400000000  0.6622625100000000  0.0710779500000000   0.8562008400000000  0.3197942400000000  0.9559087900000000   0.0343190000000000  0.9213778100000000  0.8783805000000000   0.1622625100000000  0.5661564600000000  0.8210779500000001   0.3197942400000000  0.8562008400000000  0.0440912100000000   0.6437991599999999  0.8197942400000000  0.2940912100000000   0.1802057600000000  0.3562008400000000  0.2059087900000000   0.5661564600000000  0.1622625100000000  0.1789220500000000   0.8197942400000000  0.6437991599999999  0.7059087900000001   0.9656810000000000  0.0786221900000000  0.3783805000000000   0.0661564600000000  0.3377374900000000  0.5710779500000001   0.6971515100000000  0.6971515100000000  0.5000000000000000   0.8377374900000000  0.4338435400000000  0.3210779500000000   0.8028484900000000  0.1971515100000000  0.7500000000000000   0.4656810000000000  0.4213778100000000  0.3716195000000000vasp-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     3     3     2 0.000 0.000 0.000