# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/f23dc9e0-df5e-4cbc-a1df-631f7f72890b/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 / P6_422 (181) / materials id 10851](https://mdr.nims.go.jp/datasets/81d15ddc-4f46-4926-b62f-1fb0e6111f8f)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  24</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </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 O Si   1.0     5.0854482200000000    0.0000000000000000    0.0000000000000000    -2.5427241100000000    4.4041273500000004    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.5667516399999997 O Si   6   3Direct   0.5839532000000001  0.7919766000000000  0.8333333300000000   0.7919766000000000  0.2080234000000000  0.1666666700000000   0.7919766000000000  0.5839532000000001  0.5000000000000000   0.4160468000000000  0.2080234000000000  0.8333333300000000   0.2080234000000000  0.7919766000000000  0.1666666700000000   0.2080234000000000  0.4160468000000000  0.5000000000000000   0.0000000000000000  0.5000000000000000  0.3333333300000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.5000000000000000  0.6666666700000000vasp-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     5     5     4 0.000 0.000 0.000