# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e608fcfb-13a2-4ef4-a6ea-aac473e1b1f1/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 Ba4Ti13O30 / Cmce (64) / materials id 29298](https://mdr.nims.go.jp/datasets/a26f18be-a1fe-4525-8535-710918186aa3)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 120O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 52Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 16Ba 137.32700000 10.00000000 PAW_PBE Ba_sv 06Sep2000 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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0.3321448600000000 0.0902721900000000 0.3518675600000000 0.1678551400000000 0.5902721900000000vasp-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 1 2 1 0.000 0.000 0.000