# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/a11c57fb-29ee-4b79-b980-abe86dfc2e60/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 / C2/c (15) / materials id 11684](https://mdr.nims.go.jp/datasets/70eeb2f9-331b-454a-aa8b-81a0f82f860c)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     3     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  32</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     7.1809355899999998    0.0000000000000000    0.0240633200000000     0.0000000000000000   12.4525407700000006    0.0000000000000000    -3.5571483599999998    0.0000000000000000    6.2203725600000004 O Si  32  16Direct   0.7087016600000000  0.4614905900000000  0.4776660900000000   0.7912983400000000  0.9614905900000000  0.0223339100000000   0.7912983400000000  0.0385094100000000  0.5223339100000000   0.7087016600000000  0.5385094100000001  0.9776660900000000   0.7660560500000000  0.8532899899999999  0.3281351900000000   0.7339439500000000  0.3532899900000000  0.1718648100000000   0.7339439500000000  0.6467100100000001  0.6718648100000000   0.7660560500000000  0.1467100100000000  0.8281351900000000   0.2500000000000000  0.7500000000000000  0.5000000000000000   0.7500000000000000  0.7500000000000000  0.0000000000000000   0.5000000000000000  0.6342047000000000  0.2500000000000000   0.0000000000000000  0.8657953000000000  0.7500000000000000   0.9237286500000000  0.6261565099999999  0.4385601600000000   0.0762713500000000  0.6261565099999999  0.0614398400000000   0.5762713500000001  0.8738434900000001  0.5614398400000000   0.4237286500000000  0.8738434900000001  0.9385601600000000   0.2087016600000000  0.9614905900000000  0.4776660900000000   0.2912983400000000  0.4614905900000000  0.0223339100000000   0.2912983400000000  0.5385094100000001  0.5223339100000000   0.2087016600000000  0.0385094100000000  0.9776660900000000   0.2660560500000000  0.3532899900000000  0.3281351900000000   0.2339439500000000  0.8532899899999999  0.1718648100000000   0.2339439500000000  0.1467100100000000  0.6718648100000000   0.2660560500000000  0.6467100100000001  0.8281351900000000   0.7500000000000000  0.2500000000000000  0.5000000000000000   0.2500000000000000  0.2500000000000000  0.0000000000000000   0.0000000000000000  0.1342047000000000  0.2500000000000000   0.5000000000000000  0.3657953000000000  0.7500000000000000   0.4237286500000000  0.1261565100000000  0.4385601600000000   0.5762713500000001  0.1261565100000000  0.0614398400000000   0.0762713500000000  0.3738434900000000  0.5614398400000000   0.9237286500000000  0.3738434900000000  0.9385601600000000   0.7839912200000000  0.9081968200000000  0.5410865400000000   0.7160087800000000  0.4081968200000000  0.9589134600000000   0.7160087800000000  0.5918031800000000  0.4589134600000000   0.7839912200000000  0.0918031800000000  0.0410865400000000   0.6821174200000000  0.8585290800000001  0.0724265400000000   0.8178825800000000  0.3585290800000000  0.4275734600000000   0.8178825800000000  0.6414709199999999  0.9275734600000000   0.6821174200000000  0.1414709200000000  0.5724265399999999   0.2839912200000000  0.4081968200000000  0.5410865400000000   0.2160087800000000  0.9081968200000000  0.9589134600000000   0.2160087800000000  0.0918031800000000  0.4589134600000000   0.2839912200000000  0.5918031800000000  0.0410865400000000   0.1821174200000000  0.3585290800000000  0.0724265400000000   0.3178825800000000  0.8585290800000001  0.4275734600000000   0.3178825800000000  0.1414709200000000  0.9275734600000000   0.1821174200000000  0.6414709199999999  0.5724265399999999vasp-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     2     3 0.000 0.000 0.000