# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b046d09d-e9de-43db-9a96-1919ec61bf3d/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 SiO2 / Im-3m (229) / materials id 600005](https://mdr.nims.go.jp/datasets/51de66fe-7e3c-4a36-ad13-5cbc3d00bbb5)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  32</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 Si O   1.0     9.9260399800000005    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.9260399800000005    0.0000000000000000     0.0000000000000000    0.0000000000000000    9.9260399800000005 Si O  16  32Direct   0.8431795000000000  0.1568205000000000  0.1568205000000000   0.8431795000000000  0.8431795000000000  0.1568205000000000   0.1568205000000000  0.1568205000000000  0.1568205000000000   0.8431795000000000  0.1568205000000000  0.8431795000000000   0.3431795000000000  0.3431795000000000  0.3431795000000000   0.6568205000000000  0.3431795000000000  0.6568205000000000   0.6568205000000000  0.6568205000000000  0.3431795000000000   0.6568205000000000  0.3431795000000000  0.3431795000000000   0.3431795000000000  0.6568205000000000  0.6568205000000000   0.3431795000000000  0.3431795000000000  0.6568205000000000   0.6568205000000000  0.6568205000000000  0.6568205000000000   0.3431795000000000  0.6568205000000000  0.3431795000000000   0.8431795000000000  0.8431795000000000  0.8431795000000000   0.1568205000000000  0.8431795000000000  0.1568205000000000   0.1568205000000000  0.1568205000000000  0.8431795000000000   0.1568205000000000  0.8431795000000000  0.8431795000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.7500000000000000  0.7500000000000000  0.2500000000000000   0.2500000000000000  0.2500000000000000  0.2500000000000000   0.7500000000000000  0.2500000000000000  0.7500000000000000   0.0000000000000000  0.1893921000000000  0.1893921000000000   0.3106079000000000  0.5000000000000000  0.6893921000000001   0.1893921000000000  0.0000000000000000  0.1893921000000000   0.1893921000000000  0.1893921000000000  0.0000000000000000   0.3106079000000000  0.6893921000000001  0.5000000000000000   0.0000000000000000  0.1893921000000000  0.8106078999999999   0.0000000000000000  0.8106078999999999  0.1893921000000000   0.3106079000000000  0.5000000000000000  0.3106079000000000   0.6893921000000001  0.3106079000000000  0.5000000000000000   0.6893921000000001  0.5000000000000000  0.3106079000000000   0.3106079000000000  0.3106079000000000  0.5000000000000000   0.5000000000000000  0.3106079000000000  0.3106079000000000   0.2500000000000000  0.7500000000000000  0.7500000000000000   0.2500000000000000  0.2500000000000000  0.7500000000000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.5000000000000000  0.6893921000000001  0.6893921000000001   0.8106078999999999  0.0000000000000000  0.1893921000000000   0.6893921000000001  0.5000000000000000  0.6893921000000001   0.6893921000000001  0.6893921000000001  0.5000000000000000   0.8106078999999999  0.1893921000000000  0.0000000000000000   0.5000000000000000  0.6893921000000001  0.3106079000000000   0.5000000000000000  0.3106079000000000  0.6893921000000001   0.8106078999999999  0.0000000000000000  0.8106078999999999   0.1893921000000000  0.8106078999999999  0.0000000000000000   0.1893921000000000  0.0000000000000000  0.8106078999999999   0.8106078999999999  0.8106078999999999  0.0000000000000000   0.0000000000000000  0.8106078999999999  0.8106078999999999vasp-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     2     2 0.000 0.000 0.000