# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1c734213-e903-4481-8f4a-d8c48db8d137/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 RbGe / P-43n (218) / materials id 1888](https://mdr.nims.go.jp/datasets/bdba9790-cc18-427b-9284-80b79c5d4f34)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</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>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 403.382200     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 Ge Rb   1.0    13.0999985799999994    0.0000000000000000    0.0000000000000000     0.0000000000000000   13.0999985799999994    0.0000000000000000     0.0000000000000000    0.0000000000000000   13.0999985799999994 Ge Rb  32  32Direct   0.0693514400000000  0.0693514400000000  0.0693514400000000   0.4306485600000000  0.5693514399999999  0.4306485600000000   0.4306485600000000  0.4306485600000000  0.5693514399999999   0.5693514399999999  0.4306485600000000  0.4306485600000000   0.9306485600000000  0.9306485600000000  0.0693514400000000   0.0693514400000000  0.9306485600000000  0.9306485600000000   0.9306485600000000  0.0693514400000000  0.9306485600000000   0.5693514399999999  0.5693514399999999  0.5693514399999999   0.0639235300000000  0.3184631100000000  0.4247119900000000   0.4360764700000000  0.9247119900000000  0.1815368900000000   0.4360764700000000  0.0752880100000000  0.8184631099999999   0.0752880100000000  0.1815368900000000  0.5639235300000001   0.9247119900000000  0.1815368900000000  0.4360764700000000   0.8184631099999999  0.4360764700000000  0.0752880100000000   0.1815368900000000  0.5639235300000001  0.0752880100000000   0.4247119900000000  0.0639235300000000  0.3184631100000000   0.3184631100000000  0.4247119900000000  0.0639235300000000   0.6815368900000001  0.5752880100000000  0.0639235300000000   0.4247119900000000  0.9360764699999999  0.6815368900000001   0.6815368900000001  0.4247119900000000  0.9360764699999999   0.5752880100000000  0.9360764699999999  0.3184631100000000   0.5752880100000000  0.0639235300000000  0.6815368900000001   0.3184631100000000  0.5752880100000000  0.9360764699999999   0.0639235300000000  0.6815368900000001  0.5752880100000000   0.9360764699999999  0.3184631100000000  0.5752880100000000   0.9360764699999999  0.6815368900000001  0.4247119900000000   0.1815368900000000  0.4360764700000000  0.9247119900000000   0.8184631099999999  0.5639235300000001  0.9247119900000000   0.0752880100000000  0.8184631099999999  0.4360764700000000   0.9247119900000000  0.8184631099999999  0.5639235300000001   0.5639235300000001  0.0752880100000000  0.1815368900000000   0.5639235300000001  0.9247119900000000  0.8184631099999999   0.3329406000000000  0.3329406000000000  0.3329406000000000   0.1670594000000000  0.8329406000000000  0.1670594000000000   0.1670594000000000  0.1670594000000000  0.8329406000000000   0.8329406000000000  0.1670594000000000  0.1670594000000000   0.6670594000000001  0.6670594000000001  0.3329406000000000   0.3329406000000000  0.6670594000000001  0.6670594000000001   0.6670594000000001  0.3329406000000000  0.6670594000000001   0.8329406000000000  0.8329406000000000  0.8329406000000000   0.3362761300000000  0.1406479700000000  0.0653296000000000   0.1637238700000000  0.5653296000000000  0.3593520300000000   0.1637238700000000  0.4346704000000000  0.6406479700000001   0.4346704000000000  0.3593520300000000  0.8362761300000000   0.5653296000000000  0.3593520300000000  0.1637238700000000   0.6406479700000001  0.1637238700000000  0.4346704000000000   0.3593520300000000  0.8362761300000000  0.4346704000000000   0.0653296000000000  0.3362761300000000  0.1406479700000000   0.1406479700000000  0.0653296000000000  0.3362761300000000   0.8593520299999999  0.9346704000000000  0.3362761300000000   0.0653296000000000  0.6637238700000000  0.8593520299999999   0.8593520299999999  0.0653296000000000  0.6637238700000000   0.9346704000000000  0.6637238700000000  0.1406479700000000   0.9346704000000000  0.3362761300000000  0.8593520299999999   0.1406479700000000  0.9346704000000000  0.6637238700000000   0.3362761300000000  0.8593520299999999  0.9346704000000000   0.6637238700000000  0.1406479700000000  0.9346704000000000   0.6637238700000000  0.8593520299999999  0.0653296000000000   0.3593520300000000  0.1637238700000000  0.5653296000000000   0.6406479700000001  0.8362761300000000  0.5653296000000000   0.4346704000000000  0.6406479700000001  0.1637238700000000   0.5653296000000000  0.6406479700000001  0.8362761300000000   0.8362761300000000  0.4346704000000000  0.3593520300000000   0.8362761300000000  0.5653296000000000  0.6406479700000001vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 403.382200     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     1     1     1 0.000 0.000 0.000