# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/05f8e064-f993-4261-8aa4-99cb6ca6e6db/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 Zr5Sc2O13 / R3 (146) / materials id 675672](https://mdr.nims.go.jp/datasets/ee9875ac-4f3d-4aa3-8ac9-a3fe712803c2)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 30Zr 91.22400000 12.00000000 PAW_PBE Zr_sv 04Jan2005 12Sc 44.95600000 11.00000000 PAW_PBE Sc_sv 07Sep2000 78O 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. 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0.4719594800000000 0.3084452200000000 0.1335121200000000 0.4519494900000000 0.0833931900000000 0.0364180000000000 0.6915547799999999 0.1635142700000000 0.1335121200000000vasp-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 2 2 1 0.000 0.000 0.000