# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/40c63db1-d687-4813-8068-ad77b02b8846/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 KHo2F7 / C2/m (12) / materials id 31030](https://mdr.nims.go.jp/datasets/d99dd6c1-28d1-487f-b9b4-c41ba97eea6f) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 16Ho 164.93000000 9.00000000 PAW_PBE Ho_3 06Sep2000 56F 18.99800000 7.00000000 PAW_PBE F 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 2 2 2 0.000 0.000 0.000