# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2b4a5c41-c735-402e-969a-af321baa166b/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 / Cm (8) / materials id 530748](https://mdr.nims.go.jp/datasets/98a93b08-9773-4c30-979b-f5139f15ccd0)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 32Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 16Mg 24.30500000 8.00000000 PAW_PBE Mg_pv 13Apr2007 64O 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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0.4389967300000000 0.8048560000000000 0.2780576100000000 0.1840677100000000 0.4267764200000000 0.0000000000000000 0.3163063100000000 0.8191970300000000 0.5000000000000000 0.4298457000000000 0.6913885500000000 0.5000000000000000 0.0717816000000000 0.8048560000000000 0.7219423899999999 0.1840677100000000 0.7045062400000000 0.2698883100000000 0.3125614100000000 0.5808117200000000 0.5000000000000000 0.1849009200000000 0.7045062400000000 0.7301116900000000 0.3125614100000000 0.6869053700000001 0.0000000000000000 0.0672991100000000 0.4421429200000000 0.7552331200000000 0.0671937000000000 0.5594250199999999 0.0000000000000000 0.1727718900000000 0.4421429200000000 0.2447668800000000 0.0671937000000000vasp-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