# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/beea1cdc-378c-4283-98f0-f778a8e426a9/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 Na3B5S9 / I4_1/acd (142) / materials id 29000](https://mdr.nims.go.jp/datasets/8c77ccae-faf5-4b15-b7e0-f91b812dcf47) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 80B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 48Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 144S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 414.198200 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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