# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d6f69e53-fe35-46d9-adbb-7717587d639e/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 Na3GaP8O23 / P4_132 (213) / materials id 14390](https://mdr.nims.go.jp/datasets/8f03bb85-412e-44ef-9d88-46ea2cd49a5c)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 92O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 12Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 32P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 4Ga 69.72300000 13.00000000 PAW_PBE Ga_d 06Jul2010 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 O Na P Ga 1.0 11.9556609999999992 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.9556609999999992 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.9556609999999992 O Na P Ga 92 12 32 4Direct 0.6594002100000000 0.6594002100000000 0.6594002100000000 0.9094002100000000 0.5905997900000000 0.4094002100000000 0.5905997900000000 0.4094002100000000 0.9094002100000000 0.4094002100000000 0.9094002100000000 0.5905997900000000 0.1594002100000000 0.8405997900000000 0.3405997900000000 0.8405997900000000 0.3405997900000000 0.1594002100000000 0.3405997900000000 0.1594002100000000 0.8405997900000000 0.0905997900000000 0.0905997900000000 0.0905997900000000 0.4380477800000000 0.5138669700000000 0.6807908800000000 0.9380477800000000 0.9861330300000000 0.3192091200000000 0.5138669700000000 0.6807908800000000 0.4380477800000000 0.4861330300000000 0.1807908800000000 0.0619522200000000 0.6807908800000000 0.4380477800000000 0.5138669700000000 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0.7307889300000000 0.7307889300000000 0.5686388000000000 0.1394440300000000 0.1446474000000000 0.1250000000000000 0.6250000000000000 0.8750000000000000 0.3750000000000000 0.3750000000000000 0.3750000000000000 0.8750000000000000 0.1250000000000000 0.6250000000000000 0.6250000000000000 0.8750000000000000 0.1250000000000000vasp-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 2 2 0.000 0.000 0.000