# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/fe2ce82b-8f37-4724-8147-f7a5f069951a/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 KBi6IO9 / Ia-3d (230) / materials id 558501](https://mdr.nims.go.jp/datasets/92b36e4c-acfb-4023-8324-2838e87aff0b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 96Bi 208.98000000 5.00000000 PAW_PBE Bi 08Apr2002 16I 126.90400000 7.00000000 PAW_PBE I 08Apr2002 144O 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. 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ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 1 1 1 0.000 0.000 0.000