# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/11161613-7cf5-403a-9ba1-3721185b16e1/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 Sr4GeP4 / P-43n (218) / materials id 14213](https://mdr.nims.go.jp/datasets/023f0d9f-9603-40ba-8554-f28adac238ad)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>P </c><c>     30.97400000</c><c>      5.00000000</c><c>  PAW_PBE P 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>  32</c><c>Sr</c><c>     87.62000000</c><c>     10.00000000</c><c>  PAW_PBE Sr_sv 07Sep2000               </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 P Ge Sr   1.0    12.4094291499999994    0.0000000000000000    0.0000000000000000     0.0000000000000000   12.4094291499999994    0.0000000000000000     0.0000000000000000    0.0000000000000000   12.4094291499999994 P Ge Sr  32   8  32Direct   0.6471237500000000  0.8926602400000000  0.6178642800000000   0.6471237500000000  0.1073397600000000  0.3821357200000000   0.8926602400000000  0.6178642800000000  0.6471237500000000   0.1073397600000000  0.6178642800000000  0.3528762500000000   0.6178642800000000  0.6471237500000000  0.8926602400000000   0.3821357200000000  0.3528762500000000  0.8926602400000000   0.8528762500000000  0.8821357200000000  0.3926602400000000   0.8528762500000000  0.1178642800000000  0.6073397600000000   0.1471237500000000  0.8821357200000000  0.6073397600000000   0.1178642800000000  0.6073397600000000  0.8528762500000000   0.6073397600000000  0.1471237500000000  0.8821357200000000   0.6073397600000000  0.8528762500000000  0.1178642800000000   0.8821357200000000  0.3926602400000000  0.8528762500000000   0.3926602400000000  0.8528762500000000  0.8821357200000000   0.8821357200000000  0.6073397600000000  0.1471237500000000   0.1178642800000000  0.3926602400000000  0.1471237500000000   0.3926602400000000  0.1471237500000000  0.1178642800000000   0.3821357200000000  0.6471237500000000  0.1073397600000000   0.6178642800000000  0.3528762500000000  0.1073397600000000   0.8926602400000000  0.3821357200000000  0.3528762500000000   0.1073397600000000  0.3821357200000000  0.6471237500000000   0.3528762500000000  0.1073397600000000  0.6178642800000000   0.3528762500000000  0.8926602400000000  0.3821357200000000   0.1471237500000000  0.1178642800000000  0.3926602400000000   0.8909117100000000  0.8909117100000000  0.8909117100000000   0.6090882900000000  0.3909117100000000  0.6090882900000000   0.3909117100000000  0.6090882900000000  0.6090882900000000   0.6090882900000000  0.6090882900000000  0.3909117100000000   0.8909117100000000  0.1090882900000000  0.1090882900000000   0.1090882900000000  0.1090882900000000  0.8909117100000000   0.1090882900000000  0.8909117100000000  0.1090882900000000   0.3909117100000000  0.3909117100000000  0.3909117100000000   0.7500000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.7500000000000000  0.0000000000000000   0.5000000000000000  0.2500000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.7500000000000000   0.2500000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.9038158600000000  0.8673819800000000  0.6446677100000000   0.9038158600000000  0.1326180200000000  0.3553322900000000   0.8673819800000000  0.6446677100000000  0.9038158600000000   0.1326180200000000  0.6446677100000000  0.0961841400000000   0.6446677100000000  0.9038158600000000  0.8673819800000000   0.3553322900000000  0.0961841400000000  0.8673819800000000   0.5961841400000000  0.8553322900000000  0.3673819800000000   0.5961841400000000  0.1446677100000000  0.6326180200000000   0.4038158600000000  0.8553322900000000  0.6326180200000000   0.1446677100000000  0.6326180200000000  0.5961841400000000   0.6326180200000000  0.4038158600000000  0.8553322900000000   0.6326180200000000  0.5961841400000000  0.1446677100000000   0.8553322900000000  0.3673819800000000  0.5961841400000000   0.3673819800000000  0.5961841400000000  0.8553322900000000   0.8553322900000000  0.6326180200000000  0.4038158600000000   0.1446677100000000  0.3673819800000000  0.4038158600000000   0.3673819800000000  0.4038158600000000  0.1446677100000000   0.3553322900000000  0.9038158600000000  0.1326180200000000   0.6446677100000000  0.0961841400000000  0.1326180200000000   0.8673819800000000  0.3553322900000000  0.0961841400000000   0.1326180200000000  0.3553322900000000  0.9038158600000000   0.0961841400000000  0.1326180200000000  0.6446677100000000   0.0961841400000000  0.8673819800000000  0.3553322900000000   0.4038158600000000  0.1446677100000000  0.3673819800000000   0.1449176100000000  0.1449176100000000  0.1449176100000000   0.3550823900000000  0.6449176100000000  0.3550823900000000   0.6449176100000000  0.3550823900000000  0.3550823900000000   0.3550823900000000  0.3550823900000000  0.6449176100000000   0.1449176100000000  0.8550823900000000  0.8550823900000000   0.8550823900000000  0.8550823900000000  0.1449176100000000   0.8550823900000000  0.1449176100000000  0.8550823900000000   0.6449176100000000  0.6449176100000000  0.6449176100000000vasp-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     2     2     2 0.000 0.000 0.000