# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/5ecac8e8-bff8-4c0b-b936-f69a8196cace/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 Dy2GeO5 / C2/c (15) / materials id 28351](https://mdr.nims.go.jp/datasets/4c2e9347-f5a5-44dd-ab7e-21f7cdc3da03)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  80</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  16</c><c>Ge</c><c>     72.61000000</c><c>     14.00000000</c><c>  PAW_PBE Ge_d 03Jul2007                </c></rc>    <rc><c>  32</c><c>Dy</c><c>    162.50000000</c><c>      9.00000000</c><c>  PAW_PBE Dy_3 06Sep2000                </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 Ge Dy   1.0    14.8796251900000005    0.0000000000000000    0.0310926200000000     0.0000000000000000    6.7657892300000002    0.0000000000000000    -5.5097605600000001    0.0000000000000000    8.7648158600000006 O Ge Dy  40   8  16Direct   0.7952117200000000  0.4296459700000000  0.5464548299999998   0.2047882800000000  0.4296459700000000  0.9535451699999999   0.2047882800000000  0.5703540300000001  0.4535451700000000   0.7952117200000000  0.5703540300000001  0.0464548300000000   0.9178899100000000  0.4960722000000000  0.8622043400000000   0.5821100900000000  0.9960722000000000  0.6377956600000000   0.0821100900000000  0.5039278000000000  0.1377956600000000   0.4178899100000000  0.0039278000000000  0.3622043400000000   0.1955090800000000  0.8453723800000000  0.1734889800000000   0.3044909200000000  0.3453723800000000  0.3265110200000000   0.8044909200000000  0.1546276200000000  0.8265110200000000   0.6955090800000000  0.6546276200000001  0.6734889800000000   0.0179159700000000  0.0986125500000000  0.8992755700000000   0.9820840300000000  0.0986125500000000  0.6007244300000000   0.9820840300000000  0.9013874500000000  0.1007244300000000   0.0179159700000000  0.9013874500000000  0.3992755700000000   0.1145187600000000  0.8020356500000000  0.8185051999999999   0.8854812400000001  0.8020356500000000  0.6814948000000001   0.8854812400000001  0.1979643500000000  0.1814948000000000   0.1145187600000000  0.1979643500000000  0.3185052000000000   0.2952117200000000  0.9296459700000000  0.5464548299999998   0.7047882800000000  0.9296459700000000  0.9535451699999999   0.7047882800000000  0.0703540300000000  0.4535451700000000   0.2952117200000000  0.0703540300000000  0.0464548300000000   0.4178899100000000  0.9960722000000000  0.8622043400000000   0.0821100900000000  0.4960722000000000  0.6377956600000000   0.5821100900000000  0.0039278000000000  0.1377956600000000   0.9178899100000000  0.5039278000000000  0.3622043400000000   0.6955090800000000  0.3453723800000000  0.1734889800000000   0.8044909200000000  0.8453723800000000  0.3265110200000000   0.3044909200000000  0.6546276200000001  0.8265110200000000   0.1955090800000000  0.1546276200000000  0.6734889800000000   0.5179159700000000  0.5986125500000000  0.8992755700000000   0.4820840300000000  0.5986125500000000  0.6007244300000000   0.4820840300000000  0.4013874500000000  0.1007244300000000   0.5179159700000000  0.4013874500000000  0.3992755700000000   0.6145187599999999  0.3020356500000000  0.8185051999999999   0.3854812400000000  0.3020356500000000  0.6814948000000001   0.3854812400000000  0.6979643500000000  0.1814948000000000   0.6145187599999999  0.6979643500000000  0.3185052000000000   0.3145753600000000  0.9046940999999999  0.1892942800000000   0.1854246400000000  0.4046941000000000  0.3107057200000000   0.6854246399999999  0.0953059000000000  0.8107057200000000   0.8145753600000000  0.5953059000000001  0.6892942799999999   0.8145753600000000  0.4046941000000000  0.1892942800000000   0.6854246399999999  0.9046940999999999  0.3107057200000000   0.1854246400000000  0.5953059000000001  0.8107057200000000   0.3145753600000000  0.0953059000000000  0.6892942799999999   0.0341344100000000  0.2415655200000000  0.4614185700000000   0.9658655900000001  0.2415655200000000  0.0385814300000000   0.9658655900000001  0.7584344800000000  0.5385814300000000   0.0341344100000000  0.7584344800000000  0.9614185700000000   0.1358363700000000  0.8651634600000000  0.3346595800000000   0.8641636300000000  0.8651634600000000  0.1653404200000000   0.8641636300000000  0.1348365400000000  0.6653404199999999   0.1358363700000000  0.1348365400000000  0.8346595800000001   0.5341344099999998  0.7415655200000000  0.4614185700000000   0.4658655900000000  0.7415655200000000  0.0385814300000000   0.4658655900000000  0.2584344800000000  0.5385814300000000   0.5341344099999998  0.2584344800000000  0.9614185700000000   0.6358363700000000  0.3651634600000000  0.3346595800000000   0.3641636300000000  0.3651634600000000  0.1653404200000000   0.3641636300000000  0.6348365400000000  0.6653404199999999   0.6358363700000000  0.6348365400000000  0.8346595800000001vasp-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     3     2 0.000 0.000 0.000