# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/f963c8f0-c664-4f96-a1e6-70ab6cf0e180/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 K2Zr3OF12 / R-3m (166) / materials id 17888](https://mdr.nims.go.jp/datasets/037dbb4e-2185-4caf-aa72-1a73621c77bc)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 6O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 72F 18.99800000 7.00000000 PAW_PBE F 08Apr2002 12K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 18Zr 91.22400000 12.00000000 PAW_PBE Zr_sv 04Jan2005 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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0.6046287100000001 0.8179546400000000 0.1820453600000000 0.6046287100000001 0.8179546400000000 0.6359092700000000 0.6046287100000001 0.8487120300000000 0.6974240600000000 0.7287046300000000 0.8487120300000000 0.1512879700000000 0.7287046300000000 0.3025759400000000 0.1512879700000000 0.7287046300000000 0.0307573900000000 0.5153787000000001 0.9379620399999999 0.4846213000000000 0.5153787000000001 0.9379620399999999 0.4846213000000000 0.9692426100000000 0.9379620399999999vasp-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 3 1 0.000 0.000 0.000