# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8826672c-abe2-4ae9-adc3-c8225f5f5e04/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 Na2Ge2O5 / P2_1/c (14) / materials id 772811](https://mdr.nims.go.jp/datasets/ad47ab42-f4cc-40db-aef7-b40ee51c2ba2)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <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>  80</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 Na Ge O   1.0     8.4206893100000002    0.0000000000000000    0.0152539100000000     0.0000000000000000    4.9432162300000000    0.0000000000000000    -2.9124591700000000    0.0000000000000000   12.3289776000000000 Na Ge O   8   8  20Direct   0.8595115500000000  0.2864923400000000  0.0253067100000000   0.6199291400000000  0.7472228599999999  0.0526411100000000   0.3800708600000000  0.2472228600000000  0.4473588900000000   0.8595115500000000  0.2135076600000000  0.5253067100000000   0.1404884500000000  0.7864923400000000  0.4746932900000000   0.6199291400000000  0.7527771400000001  0.5526411099999999   0.3800708600000000  0.2527771400000000  0.9473588900000000   0.1404884500000000  0.7135076600000000  0.9746932900000000   0.5994353600000000  0.2024333300000000  0.2222735400000000   0.9757846200000000  0.3329000100000000  0.3216531100000000   0.0242153800000000  0.8329000100000000  0.1783468900000000   0.4005646400000000  0.7024333300000001  0.2777264600000000   0.5994353600000000  0.2975666700000000  0.7222735400000000   0.9757846200000000  0.1670999900000000  0.8216531100000000   0.0242153800000000  0.6670999900000000  0.6783468900000000   0.4005646400000000  0.7975666700000000  0.7777264600000000   0.8970018100000000  0.7588412700000000  0.0566323100000000   0.6117893400000001  0.2739207300000000  0.0920030500000000   0.9867857500000000  0.6888209100000000  0.2984830500000000   0.5628721500000000  0.8455354100000000  0.2274208800000000   0.2283656000000000  0.7634929200000000  0.1693417500000000   0.7716343999999999  0.2634929200000000  0.3306582500000000   0.4371278500000000  0.3455354100000000  0.2725791200000000   0.0132142500000000  0.1888209100000000  0.2015169500000000   0.3882106600000000  0.7739207299999999  0.4079969500000000   0.8970018100000000  0.7411587300000000  0.5566323100000000   0.1029981900000000  0.2588412700000000  0.4433676900000000   0.6117893400000001  0.2260792700000000  0.5920030500000000   0.9867857500000000  0.8111790900000000  0.7984830500000000   0.5628721500000000  0.6544645900000000  0.7274208799999999   0.2283656000000000  0.7365070800000000  0.6693417500000001   0.7716343999999999  0.2365070800000000  0.8306582499999999   0.4371278500000000  0.1544645900000000  0.7725791200000001   0.0132142500000000  0.3111790900000000  0.7015169500000000   0.3882106600000000  0.7260792700000001  0.9079969500000000   0.1029981900000000  0.2411587300000000  0.9433676900000000vasp-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     4     2 0.000 0.000 0.000