# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/6c724fdc-cfd2-4d5d-9410-6fcb0ce5d075/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 Ga3Pb5F19 / I4cm (108) / materials id 556117](https://mdr.nims.go.jp/datasets/a13de775-aeb9-45df-904b-0a2879fe0b3d)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Ga 69.72300000 13.00000000 PAW_PBE Ga_d 06Jul2010 20Pb 207.20000000 14.00000000 PAW_PBE Pb_d 06Sep2000 76F 18.99800000 7.00000000 PAW_PBE F 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. NPAR = 4vasp-settings/POSCAR-unitcell Ga Pb F 1.0 14.2183952100000006 0.0000000000000000 0.0000000000000000 0.0000000000000000 14.2183952100000006 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.7283817099999998 Ga Pb F 12 20 76Direct 0.5000000000000000 0.5000000000000000 0.1854055300000000 0.8400972600000001 0.6599027399999999 0.9680234000000000 0.5000000000000000 0.5000000000000000 0.6854055299999999 0.1599027400000000 0.3400972600000000 0.9680234000000000 0.8400972600000001 0.3400972600000000 0.4680234000000000 0.1599027400000000 0.6599027399999999 0.4680234000000000 0.0000000000000000 0.0000000000000000 0.6854055299999999 0.3400972600000000 0.1599027400000000 0.4680234000000000 0.0000000000000000 0.0000000000000000 0.1854055300000000 0.6599027399999999 0.8400972600000001 0.4680234000000000 0.3400972600000000 0.8400972600000001 0.9680234000000000 0.6599027399999999 0.1599027400000000 0.9680234000000000 0.2767250500000000 0.5741647700000000 0.0223879900000000 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0.3212845200000000 0.9454547300000000 0.8794948400000000 0.1742402400000000 0.7436430900000000 0.3908948000000000 0.3212845200000000 0.8110169800000000 0.4399188300000000 0.6282835900000000 0.9454547300000000 0.1205051600000000 0.6742402400000000 0.7535328700000000 0.2535328700000000 0.5565679200000000 0.7535328700000000 0.7464671300000000 0.0565679200000000 0.0545452700000000 0.8794948400000000 0.6742402400000000 0.1889830200000000 0.4399188300000000 0.1282835900000000 0.2563569100000000 0.3908948000000000 0.8212845200000000 0.5000000000000000 0.5000000000000000 0.9310085400000000 0.9259158700000000 0.5740841300000000 0.8662230600000000 0.2464671300000000 0.7464671300000000 0.5565679200000000 0.8811582400000000 0.3811582400000000 0.0079720500000000 0.1091052000000000 0.7563569100000000 0.3212845200000000 0.6205051600000000 0.4454547300000000 0.6742402400000000 0.0545452700000000 0.1205051600000000 0.1742402400000000 0.3794948400000000 0.5545452700000000 0.6742402400000000 0.1889830200000000 0.5600811700000000 0.6282835900000000 0.1188417600000000 0.6188417600000000 0.0079720500000000 0.0600811700000000 0.6889830200000000 0.6282835900000000 0.1091052000000000 0.2436430900000000 0.8212845200000000 0.9399188300000000 0.3110169800000000 0.6282835900000000 0.6188417600000000 0.8811582400000000 0.0079720500000000 0.7464671300000000 0.7535328700000000 0.5565679200000000 0.4259158700000000 0.9259158700000000 0.8662230600000000 0.5740841300000000 0.0740841300000000 0.8662230600000000 0.2436430900000000 0.1091052000000000 0.3212845200000000 0.4399188300000000 0.1889830200000000 0.6282835900000000 0.5740841300000000 0.9259158700000000 0.3662230600000000 0.5600811700000000 0.8110169800000000 0.6282835900000000 0.0000000000000000 0.0000000000000000 0.9310085400000000 0.1205051600000000 0.0545452700000000 0.6742402400000000 0.3908948000000000 0.2563569100000000 0.3212845200000000 0.3811582400000000 0.1188417600000000 0.0079720500000000 0.3110169800000000 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0.8212845200000000 0.1205051600000000 0.9454547300000000 0.1742402400000000 0.5545452700000000 0.6205051600000000 0.6742402400000000 0.8794948400000000 0.0545452700000000 0.1742402400000000 0.6889830200000000 0.0600811700000000 0.1282835900000000 0.6188417600000000 0.1188417600000000 0.5079720500000000 0.5600811700000000 0.1889830200000000 0.1282835900000000 0.6091052000000000 0.7436430900000000 0.3212845200000000 0.4399188300000000 0.8110169800000000 0.1282835900000000vasp-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 1 3 0.000 0.000 0.000