# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/424270b1-862c-41ff-8409-583b94f568d1/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 SrSc2O4 / C2/c (15) / materials id 772633](https://mdr.nims.go.jp/datasets/8bc8511e-2d0c-493b-a74b-ba125b4db803) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 4 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 24Sc 44.95600000 11.00000000 PAW_PBE Sc_sv 07Sep2000 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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0.5499944100000000 0.5026376800000000 0.3479157200000000 0.4500055900000000 0.0026376800000000vasp-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 3 1 0.000 0.000 0.000