# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/721dcb87-b5a9-413d-a797-221ca681fecc/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 Mg7Al22O40 / Cm (8) / materials id 530826](https://mdr.nims.go.jp/datasets/97b20e2d-7eb6-4584-ba17-47abf3f5a39d)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 4 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 44Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 14Mg 24.30500000 8.00000000 PAW_PBE Mg_pv 13Apr2007 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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ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 2 3 1 0.000 0.000 0.000