# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/80363da1-bd98-44e3-ae8b-a0f75bd2c49d/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 Dy2Ge2O7 / P4_12_12 (92) / materials id 772793](https://mdr.nims.go.jp/datasets/f776ebd6-541e-4c73-8314-dc2c246e7a06)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     3     3     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>   8</c><c>Dy</c><c>    162.50000000</c><c>      9.00000000</c><c>  PAW_PBE Dy_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 Dy Ge O   1.0     6.7917449400000001    0.0000000000000000    0.0000000000000000     0.0000000000000000    6.7917449400000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   12.3663088499999994 Dy Ge O   8   8  28Direct   0.3534824100000000  0.8736668100000000  0.3644015800000000   0.6263331900000000  0.8534824100000000  0.6144015800000000   0.1263331900000000  0.6465175900000000  0.1355984200000000   0.8534824100000000  0.6263331900000000  0.3855984200000000   0.1465175900000000  0.3736668100000000  0.8855984200000000   0.8736668100000000  0.3534824100000000  0.6355984200000000   0.3736668100000000  0.1465175900000000  0.1144015800000000   0.6465175900000000  0.1263331900000000  0.8644015800000000   0.1516622000000000  0.8999754000000000  0.8811638300000000   0.1000246000000000  0.8483378000000000  0.6188361700000000   0.6000246000000000  0.6516622000000001  0.1311638300000000   0.6516622000000001  0.6000246000000000  0.8688361700000000   0.3483378000000000  0.3999754000000000  0.3688361700000000   0.3999754000000000  0.3483378000000000  0.6311638300000000   0.8999754000000000  0.1516622000000000  0.1188361700000000   0.8483378000000000  0.1000246000000000  0.3811638300000000   0.0782363700000000  0.9669731300000000  0.1222833100000000   0.6622082100000000  0.9344276400000000  0.4287538500000000   0.0330268700000000  0.9217636300000001  0.3777166900000000   0.3181570600000000  0.8562877500000000  0.5444103499999999   0.4344276400000000  0.8377917900000000  0.1787538500000000   0.6437122500000000  0.8181570600000000  0.7944103499999999   0.1972443600000000  0.8027556400000000  0.7500000000000000   0.6972443600000000  0.6972443600000000  0.0000000000000000   0.1437122500000000  0.6818429400000000  0.9555896500000000   0.9344276400000000  0.6622082100000000  0.5712461500000000   0.8181570600000000  0.6437122500000000  0.2055896500000000   0.5330268700000000  0.5782363699999999  0.3722833100000000   0.1622082100000000  0.5655723600000000  0.3212461500000000   0.5782363699999999  0.5330268700000000  0.6277166900000000   0.4217636300000000  0.4669731300000000  0.1277166900000000   0.8377917900000000  0.4344276400000000  0.8212461500000000   0.4669731300000000  0.4217636300000000  0.8722833100000000   0.1818429400000000  0.3562877500000000  0.7055896500000001   0.0655723600000000  0.3377917900000000  0.0712461500000000   0.8562877500000000  0.3181570600000000  0.4555896500000000   0.3027556400000000  0.3027556400000000  0.5000000000000000   0.8027556400000000  0.1972443600000000  0.2500000000000000   0.3562877500000000  0.1818429400000000  0.2944103500000000   0.5655723600000000  0.1622082100000000  0.6787538500000000   0.6818429400000000  0.1437122500000000  0.0444103500000000   0.9669731300000000  0.0782363700000000  0.8777166900000000   0.3377917900000000  0.0655723600000000  0.9287538500000000   0.9217636300000001  0.0330268700000000  0.6222833100000000vasp-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