# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ed69ef17-130e-470d-b7c1-c7baf4f72a9b/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 / Imma (74) / materials id 600037](https://mdr.nims.go.jp/datasets/a64747f6-d19d-4688-960b-f466a57ad83f)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     4     1     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     5.2737308799999996    0.0000000000000000    0.0000000000000000     0.0000000000000000   14.0625397200000002    0.0000000000000000     0.0000000000000000    0.0000000000000000   26.0544791400000015 Si O  32  64Direct   0.0000000000000000  0.8601128800000000  0.2159781300000000   0.0000000000000000  0.3601128800000000  0.7840218700000000   0.0000000000000000  0.1398871200000000  0.7840218700000000   0.0000000000000000  0.6398871200000000  0.2159781300000000   0.5000000000000000  0.0398382300000000  0.0587696300000000   0.5000000000000000  0.5398382300000000  0.9412303700000000   0.5000000000000000  0.9601617700000000  0.9412303700000000   0.5000000000000000  0.4601617700000000  0.0587696300000000   0.0000000000000000  0.9463882700000000  0.1062151000000000   0.0000000000000000  0.4463882700000000  0.8937849000000000   0.0000000000000000  0.0536117300000000  0.8937849000000000   0.0000000000000000  0.5536117300000001  0.1062151000000000 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0.5887040299999999   0.2500421000000000  0.5039366500000000  0.5887040299999999   0.7499579000000001  0.0039366500000000  0.4112959700000000vasp-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     1     1 0.000 0.000 0.000