# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7664f91f-6533-45fa-8c71-5f13e1041c0d/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 Ca3Al2H6S(OF)8 / C2/c (15) / materials id 23872](https://mdr.nims.go.jp/datasets/bb87b277-f013-4ab1-a69a-2f9750f2e3f6)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 32O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 32F 18.99800000 7.00000000 PAW_PBE F 08Apr2002 8Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 4S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 12Ca 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 = 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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0.3438756900000000 0.7500000000000000 0.5000000000000000 0.4658937900000000 0.7500000000000000 0.5000000000000000 0.5341062100000000 0.2500000000000000 0.2452887400000000 0.7811677600000000 0.6924670100000000 0.7547112600000000 0.7811677600000000 0.8075329900000000 0.7547112600000000 0.2188322400000000 0.3075329900000000 0.2452887400000000 0.2188322400000000 0.1924670100000000 0.0000000000000000 0.9658937900000000 0.7500000000000000 0.0000000000000000 0.0341062100000000 0.2500000000000000 0.7452887400000000 0.2811677600000000 0.6924670100000000 0.2547112600000000 0.2811677600000000 0.8075329900000000 0.2547112600000000 0.7188322400000000 0.3075329900000000 0.7452887400000000 0.7188322400000000 0.1924670100000000vasp-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 2 2 0.000 0.000 0.000