# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2d507d3a-2477-4f76-af77-22d1750cfbd1/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 Ba3La2C5O15F2 / C2/m (12) / materials id 581361](https://mdr.nims.go.jp/datasets/98022d3a-fa74-4587-9630-b0d71bcfa613)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 4 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Ba 137.32700000 10.00000000 PAW_PBE Ba_sv 06Sep2000 8La 138.90000000 11.00000000 PAW_PBE La 06Sep2000 20C 12.01100000 4.00000000 PAW_PBE C 08Apr2002 60O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 8F 18.99800000 7.00000000 PAW_PBE F 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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0.9163708100000000 0.4269064300000000 0.0000000000000000 0.0141058300000000 0.3746595400000000 0.5000000000000000 0.8875010700000000 0.0730935700000000 0.5000000000000000 0.9858941700000000 0.1253404600000000 0.0000000000000000 0.1124989300000000 0.9269064300000001 0.5000000000000000 0.0141058300000000 0.8746595400000000 0.0000000000000000 0.8875010700000000 0.5730935699999999 0.0000000000000000 0.9858941700000000 0.6253404600000000 0.5000000000000000 0.1124989300000000vasp-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 4 1 0.000 0.000 0.000