# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/bc9b5510-8547-459b-a668-74e34f7fc8f3/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 / Pnnm (58) / materials id 558025](https://mdr.nims.go.jp/datasets/e404aa1e-1e37-4711-a089-265ad15b213a)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 36Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 72O 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 7.4809603899999999 0.0000000000000000 0.0000000000000000 0.0000000000000000 14.2202698499999993 0.0000000000000000 0.0000000000000000 0.0000000000000000 18.8216742600000018 Si O 36 72Direct 0.2223220600000000 0.6976203400000001 0.6662863000000000 0.7223220600000000 0.8023796599999999 0.1662863000000000 0.2084776700000000 0.9997404300000000 0.7738956700000000 0.0000000000000000 0.5000000000000000 0.8473114700000000 0.5115975100000000 0.7997095200000000 0.5830859400000000 0.0000000000000000 0.5000000000000000 0.1526885300000000 0.9884024900000000 0.2997095200000000 0.0830859400000000 0.5115975100000000 0.7997095200000000 0.4169140600000000 0.1897093100000000 0.2921092900000000 0.3169908100000000 0.9884024900000000 0.2997095200000000 0.9169140600000000 0.8102906900000000 0.7078907100000000 0.3169908100000000 0.7776779400000000 0.3023796600000000 0.6662863000000000 0.2776779400000000 0.1976203400000000 0.1662863000000000 0.3102906900000000 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0.7406486500000000 0.0973267400000000 0.1861990700000000 0.7406486500000000 0.0973267400000000 0.8138009300000000 0.0000000000000000 0.0000000000000000 0.7510053400000000 0.5247180600000000 0.0910887100000000 0.6025662199999999 0.8241552700000000 0.4863255400000000 0.7980310300000000 0.0247180600000000 0.4089112900000000 0.8974337800000000 0.6668413600000000 0.2617857400000000 0.5991630200000000 0.1758447300000000 0.5136744600000001 0.7980310300000000vasp-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 1 0.000 0.000 0.000