# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e7cb6a50-f6ec-49a9-bbcc-da7c4a14c5f6/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 P3IrO9 / Cc (9) / materials id 554749](https://mdr.nims.go.jp/datasets/e9e30da6-374f-46ff-8295-86e80a52fbd8)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 36P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 12Ir 192.22000000 9.00000000 PAW_PBE Ir 06Sep2000 108O 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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0.9117228700000000 0.1303501600000000 0.0339428100000000 0.3219209000000000 0.9310152600000000 0.1776473200000000 0.6635160600000001 0.5557531800000000 0.2640577900000000 0.7001476900000000 0.0467263100000000 0.3122993200000000 0.5819122999999999vasp-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 2 1 3 0.000 0.000 0.000