# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/45f018a8-bfee-46cf-aa91-d8392aca0d3d/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 NaCa9Mg(PO4)7 / R3c (161) / materials id 9467](https://mdr.nims.go.jp/datasets/07189720-64c1-41c4-9cda-47c0f761bf3c) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 168O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 6Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 6Mg 24.30500000 8.00000000 PAW_PBE Mg_pv 13Apr2007 42P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 54Ca 40.07800000 8.00000000 PAW_PBE Ca_pv 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 525.107700 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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0.9318435899999999 0.3945564100000000 0.1917814800000000 0.7651769200000000 0.7972250800000000 0.6054435899999999 0.7651769200000000 0.8082185200000001 0.2027749200000000 0.7651769200000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 525.107700 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 2 2 1 0.000 0.000 0.000