# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8b3fdf80-d951-4e90-a0d8-78a8fc3b22d0/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 K7Nb(SO4)6 / R-3 (148) / materials id 17499](https://mdr.nims.go.jp/datasets/a85c9b9a-ea8f-4f66-ba91-76fb3b15d826)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 18S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 21K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 3Nb 92.00000000 11.00000000 PAW_PBE Nb_pv 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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0.9485190999999999 0.8868943000000000 0.6155267600000001 0.9485190999999999 0.9488600900000000 0.3952991300000000 0.7181475600000000 0.6047008700000001 0.5535609600000000 0.7181475600000000 0.4464390400000000 0.0511399100000000 0.7181475600000000 0.3333333300000000 0.6666666700000000 0.1666666700000000 0.0511399100000000 0.6047008700000001 0.2818524400000000 0.3952991300000000 0.4464390400000000 0.2818524400000000 0.5535609600000000 0.9488600900000000 0.2818524400000000 0.6155267600000001 0.7286324600000000 0.0514809000000000 0.2713675400000000 0.8868943000000000 0.0514809000000000 0.1131057000000000 0.3844732400000000 0.0514809000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.6666666700000000 0.3333333300000000 0.3333333300000000 0.3333333300000000 0.6666666700000000 0.6666666700000000vasp-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 1 2 0.000 0.000 0.000