# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/08d9bb88-ef6c-47b7-81c1-f7ed47ed648b/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 / C222_1 (20) / materials id 600049](https://mdr.nims.go.jp/datasets/aab44544-5fa7-4cb1-b20c-461380f975ed) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 32Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 64O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 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. 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0.5426539699999999 0.1425340400000000 0.0933264300000000 0.4573460300000000 0.6656700200000000 0.7709027300000000 0.8805599000000000 0.6656700200000000 0.2290972700000000 0.1194401000000000 0.3343299800000000 0.7709027300000000 0.6194401000000000 0.3343299800000000 0.2290972700000000 0.3805599000000000 0.4274871400000000 0.3479160800000000 0.8169790200000000 0.4274871400000000 0.6520839199999999 0.1830209800000000 0.5725128600000000 0.3479160800000000 0.6830209800000000 0.5725128600000000 0.6520839199999999 0.3169790200000000 0.0799869600000000 0.0681502600000000 0.9408371000000000 0.0799869600000000 0.9318497400000000 0.0591629000000000 0.9200130399999999 0.0681502600000000 0.5591629000000000 0.9200130399999999 0.9318497400000000 0.4408371000000000vasp-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