# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/46e52337-d3d8-44cd-a9e8-58e876a84a1b/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 BaNa(B3O5)3 / R3c (161) / materials id 17864](https://mdr.nims.go.jp/datasets/5fb77474-c9da-4ade-90e7-869e6e6b7b90)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 54B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 90O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 6Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 6Ba 137.32700000 10.00000000 PAW_PBE Ba_sv 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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ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000