# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0c77c3fc-05bc-4316-9c52-82371d70e5b8/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 Ge3Os2 / Pbcn (60) / materials id 16610](https://mdr.nims.go.jp/datasets/e14b635d-31a8-4c93-90cd-893efb8aabf3)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</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>Os</c><c>    190.20000000</c><c>     14.00000000</c><c>  PAW_PBE Os_pv 20Jan2003               </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 Os   1.0    11.4862851900000003    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.2465275699999996    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.7473257499999999 Ge Os  24  16Direct   0.3683173500000000  0.1056782800000000  0.6014413300000000   0.1316826500000000  0.3943217200000000  0.1014413300000000   0.6316826500000000  0.1056782800000000  0.8985586700000000   0.8683173500000000  0.3943217200000000  0.3985586700000000   0.6316826500000000  0.8943217200000000  0.3985586700000000   0.8683173500000000  0.6056782800000000  0.8985586700000000   0.3683173500000000  0.8943217200000000  0.1014413300000000   0.1316826500000000  0.6056782800000000  0.6014413300000000   0.1786175300000000  0.0654642500000000  0.9100091500000000   0.3213824700000000  0.4345357500000000  0.4100091500000000   0.8213824700000000  0.0654642500000000  0.5899908500000000   0.6786175300000000  0.4345357500000000  0.0899908500000000   0.8213824700000000  0.9345357500000000  0.0899908500000000   0.6786175300000000  0.5654642500000000  0.5899908500000000   0.1786175300000000  0.9345357500000000  0.4100091500000000   0.3213824700000000  0.5654642500000000  0.9100091500000000   0.4268951400000000  0.7132172900000000  0.5428642699999999   0.0731048600000000  0.7867827100000000  0.0428642700000000   0.5731048599999999  0.7132172900000000  0.9571357300000000   0.9268951400000001  0.7867827100000000  0.4571357300000000   0.5731048599999999  0.2867827100000000  0.4571357300000000   0.9268951400000001  0.2132172900000000  0.9571357300000000   0.4268951400000000  0.2867827100000000  0.0428642700000000   0.0731048600000000  0.2132172900000000  0.5428642699999999   0.5000000000000000  0.9255178400000000  0.7500000000000000   0.0000000000000000  0.5744821600000001  0.2500000000000000   0.5000000000000000  0.0744821600000000  0.2500000000000000   0.0000000000000000  0.4255178400000000  0.7500000000000000   0.5000000000000000  0.4598880200000000  0.7500000000000000   0.0000000000000000  0.0401119800000000  0.2500000000000000   0.5000000000000000  0.5401119800000000  0.2500000000000000   0.0000000000000000  0.9598880200000000  0.7500000000000000   0.2539980700000000  0.3133799200000000  0.7603109400000000   0.2460019300000000  0.1866200800000000  0.2603109400000000   0.7460019300000000  0.3133799200000000  0.7396890600000000   0.7539980700000000  0.1866200800000000  0.2396890600000000   0.7460019300000000  0.6866200800000000  0.2396890600000000   0.7539980700000000  0.8133799200000000  0.7396890600000000   0.2539980700000000  0.6866200800000000  0.2603109400000000   0.2460019300000000  0.8133799200000000  0.7603109400000000vasp-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     3 0.000 0.000 0.000