# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/94640c37-fa2a-4654-8b04-7c1eed8816a4/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 Rb3Nb6SBr17 / C2/c (15) / materials id 559037](https://mdr.nims.go.jp/datasets/53b99211-20b1-4630-b04f-dc0f4255fe15)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Rb 85.46800000 7.00000000 PAW_PBE Rb_pv 06Sep2000 24Nb 92.00000000 11.00000000 PAW_PBE Nb_pv 08Apr2002 4S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 68Br 79.90400000 7.00000000 PAW_PBE Br 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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0.1819345800000000 0.1302578000000000 0.5597141400000001 0.5594943700000000 0.9188708300000000 0.7189757700000000 0.1242114600000000 0.6467850800000000 0.3892073000000000 0.5215126800000001 0.9188708300000000 0.2810242300000000 0.6242114599999999 0.7581283000000000 0.3909691300000000 0.8380758600000000 0.6467850800000000 0.6107927000000000 0.0215126800000000 0.7837073100000000 0.2780573600000000 0.3180654200000000 0.7581283000000000 0.6090308700000000 0.3380758600000000vasp-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 1 1 2 0.000 0.000 0.000