# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b619d442-c75e-428f-b864-e8e4841ea54a/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 Ba2Re6S11 / R-3c (167) / materials id 14406](https://mdr.nims.go.jp/datasets/6216a686-0130-4d48-8926-fd98dec8f482)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 66S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 12Ba 137.32700000 10.00000000 PAW_PBE Ba_sv 06Sep2000 36Re 186.20700000 13.00000000 PAW_PBE Re_pv 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 336.295700 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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0.4660941000000000 0.0240156100000000 0.8474327400000000 0.4660941000000000 0.8234171200000000 0.9759843900000000 0.4660941000000000 0.1807660700000000 0.6906822800000000 0.7005725700000001 0.3093177200000000 0.4900837900000000 0.7005725700000001 0.8432495400000000 0.3573489500000000 0.8672392400000000 0.6426510500000000 0.4859006000000000 0.8672392400000000 0.5140994000000000 0.1567504600000000 0.8672392400000000 0.8234171200000000 0.8474327400000000 0.9660941000000000 0.1525672600000000 0.9759843900000000 0.9660941000000000 0.0240156100000000 0.1765828800000000 0.9660941000000000 0.5099162100000000 0.8192339300000000 0.7005725700000001 0.8192339300000000 0.5099162100000000 0.7994274299999999 0.6906822800000000 0.1807660700000000 0.7994274299999999 0.4900837900000000 0.3093177200000000 0.7994274299999999vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 336.295700 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 2 1 0.000 0.000 0.000