# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e9a8d5ca-adbf-4814-afbb-94f94252324a/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 / Ia-3d (230) / materials id 600028](https://mdr.nims.go.jp/datasets/300e8cc7-b047-4b80-88dc-5edd0d3656b2)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 48Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 96O 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. NPAR = 4vasp-settings/POSCAR-unitcell Si O 1.0 13.5940482700000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.5940482700000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.5940482700000000 Si O 48 96Direct 0.1250000000000000 0.6614599400000001 0.5885400599999999 0.4114599400000000 0.6250000000000000 0.8385400600000000 0.0885400600000000 0.3750000000000000 0.3385400600000000 0.6614599400000001 0.4114599400000000 0.3750000000000000 0.8385400600000000 0.4114599400000000 0.6250000000000000 0.3750000000000000 0.3385400600000000 0.0885400600000000 0.3750000000000000 0.6614599400000001 0.4114599400000000 0.6614599400000001 0.5885400599999999 0.1250000000000000 0.5885400599999999 0.1250000000000000 0.6614599400000001 0.3385400600000000 0.0885400600000000 0.3750000000000000 0.4114599400000000 0.3750000000000000 0.6614599400000001 0.6250000000000000 0.8385400600000000 0.4114599400000000 0.8750000000000000 0.3385400600000000 0.4114599400000000 0.5885400599999999 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0.7208920100000000 0.1330102900000000 0.2791079900000000 0.3933178600000000 0.1330102900000000 0.7208920100000000 0.1066821400000000 0.8669897100000000 0.7791079900000000 0.1066821400000000 0.8830102900000000 0.6433178600000000 0.9708920100000000 0.3830102900000000 0.8566821400000000 0.0291079900000000 0.1433178600000000 0.5291079900000000 0.1169897100000000 0.8566821400000000 0.0291079900000000 0.3830102900000000 0.9708920100000000 0.1169897100000000 0.8566821400000000 0.0291079900000000 0.3830102900000000 0.8566821400000000vasp-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 1 1 1 0.000 0.000 0.000