# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b907cdaa-5359-4719-ad80-9da83dfa7960/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 Ti6In2Si2P12O49 / R-3 (148) / materials id 560564](https://mdr.nims.go.jp/datasets/7fa6b3e3-e523-4425-8385-cee2efa62b59) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 18Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 6In 114.82000000 13.00000000 PAW_PBE In_d 06Sep2000 6Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 36P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 147O 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 3 3 1 0.000 0.000 0.000