# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/dfd6091f-0269-42df-a81f-a6df299b0e0a/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 MgAl2O4 / R3m (160) / materials id 531793](https://mdr.nims.go.jp/datasets/3d42dcbe-dc74-41c7-9a2d-d753911980ed)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 4 4 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 48Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 24Mg 24.30500000 8.00000000 PAW_PBE Mg_pv 13Apr2007 96O 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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0.0615741200000000 0.8458867600000000 0.1541132400000000 0.9759199100000000 0.0000000000000000 0.0000000000000000 0.9399676500000000 0.8458867600000000 0.6917735199999999 0.9759199100000000 0.6809001800000001 0.8404500900000000 0.0228370600000000 0.6285678100000001 0.8142838999999999 0.8949092199999999 0.4795833700000000 0.9591667400000000 0.9387404300000000 0.4795833700000000 0.5204166299999999 0.9387404300000000 0.3333333300000000 0.6666666700000000 0.9789667200000000 0.3333333300000000 0.6666666700000000 0.8573837700000000 0.1857161000000000 0.8142838999999999 0.8949092199999999 0.0408332600000000 0.5204166299999999 0.9387404300000000 0.1857161000000000 0.3714321900000000 0.8949092199999999 0.8299875500000000 0.6599751100000000 0.8561580500000000 0.8299875500000000 0.1700124500000000 0.8561580500000000 0.6666666700000000 0.3333333300000000 0.8917039600000000 0.3400248900000000 0.1700124500000000 0.8561580500000000vasp-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 4 4 1 0.000 0.000 0.000