# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/58cb5031-9bc0-40db-982f-6a1c652fb45d/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 / Cmcm (63) / materials id 600004](https://mdr.nims.go.jp/datasets/e8933641-5b94-4d01-bb78-583f1b4aa8cd)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  96</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     7.5403340300000004    0.0000000000000000    0.0000000000000000     0.0000000000000000   16.2704483400000015    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.2556697400000001 Si O  12  24Direct   0.7064558800000000  0.1961503200000000  0.2500000000000000   0.2064558800000000  0.3038496800000000  0.7500000000000000   0.2935441200000000  0.1961503200000000  0.2500000000000000   0.7935441200000000  0.3038496800000000  0.7500000000000000   0.0000000000000000  0.0569497400000000  0.2500000000000000   0.5000000000000000  0.4430502600000000  0.7500000000000000   0.2064558800000000  0.6961503200000000  0.2500000000000000   0.7064558800000000  0.8038496800000000  0.7500000000000000   0.7935441200000000  0.6961503200000000  0.2500000000000000   0.2935441200000000  0.8038496800000000  0.7500000000000000   0.5000000000000000  0.5569497400000001  0.2500000000000000   0.0000000000000000  0.9430502600000000  0.7500000000000000   0.7500000000000000  0.2500000000000000  0.5000000000000000   0.2500000000000000  0.2500000000000000  0.5000000000000000   0.2500000000000000  0.2500000000000000  0.0000000000000000   0.7500000000000000  0.2500000000000000  0.0000000000000000   0.8233376900000000  0.1132128900000000  0.2500000000000000   0.3233376900000000  0.3867871100000000  0.7500000000000000   0.1766623100000000  0.1132128900000000  0.2500000000000000   0.6766623100000000  0.3867871100000000  0.7500000000000000   0.5000000000000000  0.1693982400000000  0.2500000000000000   0.0000000000000000  0.3306017600000000  0.7500000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.2500000000000000  0.7500000000000000  0.5000000000000000   0.7500000000000000  0.7500000000000000  0.5000000000000000   0.7500000000000000  0.7500000000000000  0.0000000000000000   0.2500000000000000  0.7500000000000000  0.0000000000000000   0.3233376900000000  0.6132128900000000  0.2500000000000000   0.8233376900000000  0.8867871100000000  0.7500000000000000   0.6766623100000000  0.6132128900000000  0.2500000000000000   0.1766623100000000  0.8867871100000000  0.7500000000000000   0.0000000000000000  0.6693982400000000  0.2500000000000000   0.5000000000000000  0.8306017600000000  0.7500000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000vasp-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     3     1     4 0.000 0.000 0.000