# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/171e2f70-4db3-41d9-907f-57c2d04ace37/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 CaSiO3 / C2/c (15) / materials id 561086](https://mdr.nims.go.jp/datasets/1b6a7230-bd37-4587-9b79-0d0df74c50b6)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24Ca 40.07800000 8.00000000 PAW_PBE Ca_pv 06Sep2000 24Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 72O 16.00000000 6.00000000 PAW_PBE O 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. NPAR = 4vasp-settings/POSCAR-unitcell Ca Si O 1.0 6.8090186499999996 0.0000000000000000 0.0014102300000000 0.0000000000000000 11.8142306300000008 0.0000000000000000 -0.2198263400000000 0.0000000000000000 19.5687695800000014 Ca Si O 24 24 72Direct 0.5000000000000000 0.8282841900000000 0.2500000000000000 0.0000000000000000 0.6717158100000000 0.7500000000000000 0.0000000000000000 0.9958110600000000 0.7500000000000000 0.4891898500000000 0.8351877599999999 0.9995485600000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.8419040799999999 0.7500000000000000 0.5108101500000000 0.8351877599999999 0.5004514400000000 0.0108101500000000 0.6648122400000001 0.0004514400000000 0.0000000000000000 0.6580959200000001 0.2500000000000000 0.9891898500000000 0.6648122400000001 0.4995485600000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.5000000000000000 0.5041889399999999 0.2500000000000000 0.0000000000000000 0.3282841900000000 0.2500000000000000 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0.1067981800000000 0.3329522000000000 0.1237369700000000 0.6546895800000000 0.0131810600000000 0.1982613000000000 0.1546895800000000 0.4868189400000000 0.6982613000000000vasp-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 2 1 0.000 0.000 0.000