# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ec79e459-024e-4aed-a09a-d9fc8bf8189b/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 MgIn2O4 / Cm (8) / materials id 685982](https://mdr.nims.go.jp/datasets/2d706c98-5b8d-4f2c-bc2d-8686e67288ab) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 20Mg 24.30500000 8.00000000 PAW_PBE Mg_pv 13Apr2007 40In 114.82000000 13.00000000 PAW_PBE In_d 06Sep2000 80O 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 = 525.107700 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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0.5000000000000000 0.1258763200000000 0.6800252700000000 0.7253771500000000 0.2272123700000000 0.3193737500000000 0.5000000000000000 0.0269002400000000 0.1244208600000000 0.5000000000000000 0.1208214300000000 0.0791555800000000 0.2634471300000000 0.0275746600000000 0.0791555800000000 0.7365528700000000 0.0275746600000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 525.107700 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 3 1 0.000 0.000 0.000