# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/68246a8a-1df1-429a-ae03-2df62d7d9608/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 Al3Pb5F19 / I4/m (87) / materials id 558775](https://mdr.nims.go.jp/datasets/9ede51b4-b9bf-4154-9882-81f33b1d85bf)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 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 Al Pb F 1.0 14.1887134899999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 14.1887134899999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.2148142200000001 Al Pb F 12 20 76Direct 0.0000000000000000 0.0000000000000000 0.7524670099999999 0.5000000000000000 0.5000000000000000 0.7475329900000001 0.1773341400000000 0.6587736200000001 0.5000000000000000 0.8226658600000000 0.3412263800000000 0.5000000000000000 0.8412263799999999 0.6773341399999999 0.0000000000000000 0.1587736200000000 0.3226658600000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.2524670100000000 0.0000000000000000 0.0000000000000000 0.2475329900000000 0.6773341399999999 0.1587736200000000 0.0000000000000000 0.3226658600000000 0.8412263799999999 0.0000000000000000 0.3412263800000000 0.1773341400000000 0.5000000000000000 0.6587736200000001 0.8226658600000000 0.5000000000000000 0.0773290000000000 0.7571335800000000 0.0000000000000000 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0.6169832500000000 0.5496921699999999 0.7546401899999999 0.8948380200000000 0.7523484100000000 0.8267972800000000 0.1996579900000000 0.4066885400000000 0.1736169700000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.3830167500000000 0.4503078300000000 0.2453598100000000 0.7523484100000000 0.1051619800000000 0.8267972800000000 0.6133819899999999 0.0459802100000000 0.0000000000000000 0.2657761700000000 0.2543587500000000 0.0000000000000000 0.4540197900000000 0.1133819900000000 0.5000000000000000 0.2476515900000000 0.8948380200000000 0.1732027200000000 0.4503078300000000 0.6169832500000000 0.2453598100000000 0.6051619800000000 0.7476515900000000 0.6732027199999999 0.7342238300000000 0.7456412500000000 0.0000000000000000 0.5496921699999999 0.3830167500000000 0.7546401899999999 0.8830167500000000 0.9503078300000000 0.2546401900000000 0.3795516800000000 0.9242683899999999 0.5000000000000000 0.4066885400000000 0.8003420100000000 0.1736169700000000 0.6204483199999999 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0.8267972800000000 0.5496921699999999 0.3830167500000000 0.2453598100000000 0.3003420100000000 0.0933114600000000 0.3263830300000000 0.5459802100000000 0.8866180100000000 0.5000000000000000 0.1169832500000000 0.0496921700000000 0.2546401900000000 0.3948380200000000 0.2523484100000000 0.3267972800000000 0.6996579900000000 0.9066885400000000 0.6736169700000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.8830167500000000 0.9503078300000000 0.7453598100000001vasp-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