# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/86c52f13-f646-448f-9585-72c85e2a13b4/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 / Fddd (70) / materials id 555483](https://mdr.nims.go.jp/datasets/1dcbbc8e-c451-4b7a-8de1-698e8ee66226)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  64</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     4.7381635299999996    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.4829472599999995    0.0000000000000000     0.0000000000000000    0.0000000000000000   14.8010268400000005 Si O  16  32Direct   0.2500000000000000  0.7500000000000000  0.5631386300000000   0.0000000000000000  0.5000000000000000  0.3131386300000000   0.5000000000000000  0.5000000000000000  0.1868613700000000   0.7500000000000000  0.7500000000000000  0.4368613700000000   0.2500000000000000  0.2500000000000000  0.0631386300000000   0.0000000000000000  0.0000000000000000  0.8131386300000000   0.5000000000000000  0.0000000000000000  0.6868613700000000   0.7500000000000000  0.2500000000000000  0.9368613700000000   0.7500000000000000  0.7500000000000000  0.0631386300000000   0.5000000000000000  0.5000000000000000  0.8131386300000000   0.0000000000000000  0.5000000000000000  0.6868613700000000   0.2500000000000000  0.7500000000000000  0.9368613700000000   0.7500000000000000  0.2500000000000000  0.5631386300000000   0.5000000000000000  0.0000000000000000  0.3131386300000000   0.0000000000000000  0.0000000000000000  0.1868613700000000   0.2500000000000000  0.2500000000000000  0.4368613700000000   0.6250000000000000  0.8750000000000000  0.3750000000000000   0.6250000000000000  0.6250000000000000  0.1250000000000000   0.3750000000000000  0.3750000000000000  0.1250000000000000   0.8750000000000000  0.6250000000000000  0.3750000000000000   0.0000000000000000  0.8141067600000000  0.5000000000000000   0.5000000000000000  0.6858932400000000  0.5000000000000000   0.2500000000000000  0.5641067600000000  0.2500000000000000   0.7500000000000000  0.4358932400000000  0.2500000000000000   0.6250000000000000  0.3750000000000000  0.8750000000000000   0.6250000000000000  0.1250000000000000  0.6250000000000000   0.3750000000000000  0.8750000000000000  0.6250000000000000   0.8750000000000000  0.1250000000000000  0.8750000000000000   0.0000000000000000  0.3141067600000000  0.0000000000000000   0.5000000000000000  0.1858932400000000  0.0000000000000000   0.2500000000000000  0.0641067600000000  0.7500000000000000   0.7500000000000000  0.9358932400000000  0.7500000000000000   0.1250000000000000  0.8750000000000000  0.8750000000000000   0.1250000000000000  0.6250000000000000  0.6250000000000000   0.8750000000000000  0.3750000000000000  0.6250000000000000   0.3750000000000000  0.6250000000000000  0.8750000000000000   0.5000000000000000  0.8141067600000000  0.0000000000000000   0.0000000000000000  0.6858932400000000  0.0000000000000000   0.7500000000000000  0.5641067600000000  0.7500000000000000   0.2500000000000000  0.4358932400000000  0.7500000000000000   0.1250000000000000  0.3750000000000000  0.3750000000000000   0.1250000000000000  0.1250000000000000  0.1250000000000000   0.8750000000000000  0.8750000000000000  0.1250000000000000   0.3750000000000000  0.1250000000000000  0.3750000000000000   0.5000000000000000  0.3141067600000000  0.5000000000000000   0.0000000000000000  0.1858932400000000  0.5000000000000000   0.7500000000000000  0.0641067600000000  0.2500000000000000   0.2500000000000000  0.9358932400000000  0.2500000000000000vasp-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     4     2     1 0.000 0.000 0.000