# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ec67b12b-87b5-443a-ab71-836780b3b652/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_222 (180) / materials id 6922](https://mdr.nims.go.jp/datasets/93d8ebae-5983-49de-b34c-61e055f72d0b)

## 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     5.0854515300000003    0.0000000000000000    0.0000000000000000    -2.5427257600000002    4.4041302099999999    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.5667427900000002 O Si   6   3Direct   0.4160465800000000  0.2080232900000000  0.1666666700000000   0.2080232900000000  0.4160465800000000  0.5000000000000000   0.2080232900000000  0.7919767100000000  0.8333333300000000   0.5839534200000001  0.7919767100000000  0.1666666700000000   0.7919767100000000  0.5839534200000001  0.5000000000000000   0.7919767100000000  0.2080232900000000  0.8333333300000000   0.5000000000000000  0.5000000000000000  0.3333333300000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  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