# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/73e48045-febf-4de3-849d-ac9d897670fe/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 Ba2GeO4 / Pna2_1 (33) / materials id 780263](https://mdr.nims.go.jp/datasets/111a05b9-bae0-4d9f-b851-e856d1e82020)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24Ba 137.32700000 10.00000000 PAW_PBE Ba_sv 06Sep2000 12Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 48O 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. NPAR = 4vasp-settings/POSCAR-unitcell Ba Ge O 1.0 22.7500581900000007 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.3992438499999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 6.0166292600000002 Ba Ge O 24 12 48Direct 0.9997406500000000 0.1976145100000000 0.2167883500000000 0.0002593500000000 0.8023854900000000 0.7167883500000001 0.0522966800000000 0.4208738100000000 0.7199873500000000 0.1129816700000000 0.9174458000000000 0.2397229400000000 0.1674913800000000 0.6957984699999999 0.7504793000000000 0.1662140000000000 0.3019345800000000 0.2595742300000000 0.2186333200000000 0.0799384900000000 0.7580477200000000 0.2813666800000000 0.5799384900000000 0.2580477200000000 0.3337860000000000 0.8019345800000000 0.7595742300000000 0.3325086200000000 0.1957984700000000 0.2504793000000000 0.3870183300000000 0.4174458000000000 0.7397229400000001 0.4477033200000000 0.9208738100000000 0.2199873500000000 0.4997406500000000 0.3023854900000000 0.2167883500000000 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0.5702120900000001 0.6986703900000000 0.9979673700000000 0.0638533500000000 0.8053270000000000vasp-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 2 3 0.000 0.000 0.000