# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e5fddc3d-667a-4cc1-a956-0eda0bc14c38/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 B8O / C2/m (12) / materials id 758933](https://mdr.nims.go.jp/datasets/6cae0996-362b-4321-a7e7-450a47a48995) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 96B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 12O 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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0.0595344400000000 0.7498418200000000 0.7380368800000000 0.6912571900000000 0.5000000000000000 0.7647157900000000 0.8087428100000000 0.0000000000000000 0.2352842100000000 0.4404655600000000 0.7501581800000000 0.2619631200000000 0.5595344400000000 0.7501581800000000 0.7380368800000000 0.4404655600000000 0.2498418200000000 0.2619631200000000 0.5595344400000000 0.2498418200000000 0.7380368800000000 0.1912571900000000 0.0000000000000000 0.7647157900000000vasp-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 2 4 0.000 0.000 0.000