# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/f2ae69de-299a-40e7-860a-3ff8c39b8d7a/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 / R-3m (166) / materials id 17909](https://mdr.nims.go.jp/datasets/c6de93c0-f5f3-4710-97cd-a038e96effc6)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 36Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 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 13.6634228400000008 0.0000000000000000 0.0000000000000000 -6.8317114099999996 11.8328712899999999 0.0000000000000000 0.0000000000000000 0.0000000000000000 14.8748479800000002 O Si 72 36Direct 0.3333333300000000 0.4043736400000000 0.6666666700000000 0.7377069800000000 0.0000000000000000 0.0000000000000000 0.2622930200000000 0.2622930200000000 0.0000000000000000 0.3333333300000000 0.9289596900000000 0.6666666700000000 0.2622930200000000 0.0000000000000000 0.0000000000000000 0.7377069800000000 0.7377069800000000 0.0000000000000000 0.7664000300000000 0.5328000700000000 0.2106997300000000 0.7664000300000000 0.2335999700000000 0.2106997300000000 0.4671999300000000 0.2335999700000000 0.2106997300000000 0.5669333000000000 0.4330667000000000 0.4559669300000000 0.8661334000000001 0.4330667000000000 0.4559669300000000 0.5669333000000000 0.1338666000000000 0.4559669300000000 0.0940535100000000 0.5470267700000000 0.7977516099999999 0.4529732300000000 0.5470267700000000 0.7977516099999999 0.4529732300000000 0.9059464900000000 0.7977516099999999 0.8803601000000000 0.7607201800000000 0.8689150600000000 0.2392798200000000 0.1196399000000000 0.8689150600000000 0.8803601000000000 0.1196399000000000 0.8689150600000000 0.0174334200000000 0.3333333300000000 0.8333333300000000 0.6666666700000000 0.6841000900000000 0.8333333300000000 0.3158999100000000 0.9825665800000000 0.8333333300000000 0.3158999100000000 0.3333333300000000 0.8333333300000000 0.6666666700000000 0.9825665800000000 0.8333333300000000 0.0174334200000000 0.6841000900000000 0.8333333300000000 0.0000000000000000 0.7377069800000000 0.0000000000000000 0.4043736400000000 0.3333333300000000 0.3333333300000000 0.9289596900000000 0.5956263600000000 0.3333333300000000 0.0000000000000000 0.2622930200000000 0.0000000000000000 0.9289596900000000 0.3333333300000000 0.3333333300000000 0.4043736400000000 0.0710403100000000 0.3333333300000000 0.4330667000000000 0.8661334000000001 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0.7863065700000000 0.5355817199999999 0.3507667500000000 0.0000000000000000 0.5000000000000000 0.0000000000000000 0.3507667500000000 0.5000000000000000 0.6492332500000000 0.6492332500000000 0.5000000000000000 0.6492332500000000 0.0000000000000000 0.5000000000000000 0.0000000000000000 0.6492332500000000 0.5000000000000000 0.3507667500000000 0.3507667500000000 0.5000000000000000 0.3334907800000000 0.4379872300000000 0.7713134699999999 0.1044964600000000 0.6665092200000000 0.7713134699999999 0.5620127699999999 0.8955035400000000 0.7713134699999999 0.9998425500000000 0.7711631300000000 0.8953532000000000 0.7713205599999999 0.0001574500000000 0.8953532000000000 0.2288368700000000 0.2286794400000000 0.8953532000000000 0.9998425500000000 0.2286794400000000 0.8953532000000000 0.2288368700000000 0.0001574500000000 0.8953532000000000 0.7713205599999999 0.7711631300000000 0.8953532000000000 0.3334907800000000 0.8955035400000000 0.7713134699999999 0.5620127699999999 0.6665092200000000 0.7713134699999999 0.1044964600000000 0.4379872300000000 0.7713134699999999 0.0001574500000000 0.7713205599999999 0.1046468000000000 0.7711631300000000 0.9998425500000000 0.1046468000000000 0.2286794400000000 0.2288368700000000 0.1046468000000000 0.6665092200000000 0.1044964600000000 0.2286865300000000 0.4379872300000000 0.3334907800000000 0.2286865300000000 0.8955035400000000 0.5620127699999999 0.2286865300000000 0.6665092200000000 0.5620127699999999 0.2286865300000000 0.8955035400000000 0.3334907800000000 0.2286865300000000 0.4379872300000000 0.1044964600000000 0.2286865300000000 0.0001574500000000 0.2288368700000000 0.1046468000000000 0.2286794400000000 0.9998425500000000 0.1046468000000000 0.7711631300000000 0.7713205599999999 0.1046468000000000 0.6668241100000001 0.1046539000000000 0.4379801300000000 0.4378297900000000 0.3331758900000000 0.4379801300000000 0.8953461000000000 0.5621702100000000 0.4379801300000000 0.3331758900000000 0.4378297900000000 0.5620198700000000 0.1046539000000000 0.6668241100000001 0.5620198700000000 0.5621702100000000 0.8953461000000000 0.5620198700000000 0.3331758900000000 0.8953461000000000 0.5620198700000000 0.5621702100000000 0.6668241100000001 0.5620198700000000 0.1046539000000000 0.4378297900000000 0.5620198700000000 0.6668241100000001 0.5621702100000000 0.4379801300000000 0.8953461000000000 0.3331758900000000 0.4379801300000000 0.4378297900000000 0.1046539000000000 0.4379801300000000vasp-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 2 2 1 0.000 0.000 0.000