# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d9969d6b-a4af-4a70-ae44-25c277290a19/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 Er3B5O12 / Pmna (53) / materials id 560278](https://mdr.nims.go.jp/datasets/146d580f-2879-4ae9-aab7-8f6be3812608) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 4 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Er 167.26000000 9.00000000 PAW_PBE Er_3 06Sep2000 20B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 48O 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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ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 2 4 2 0.000 0.000 0.000