# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/144d8100-77fa-4616-97ad-faf704634850/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 CaH12(IO6)2 / Fdd2 (43) / materials id 758253](https://mdr.nims.go.jp/datasets/e141cf15-bd17-452b-900f-db2d7cf180b9) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Ca 40.07800000 8.00000000 PAW_PBE Ca_pv 06Sep2000 96H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 16I 126.90400000 7.00000000 PAW_PBE I 08Apr2002 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. 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ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 1 1 3 0.000 0.000 0.000