# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/80256914-af34-40e3-bcdb-be23180116f2/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 Ta6Pb4O19 / Imma (74) / materials id 863066](https://mdr.nims.go.jp/datasets/94990019-633e-4d5f-9436-502523a1b103)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24Ta 180.94800000 11.00000000 PAW_PBE Ta_pv 07Sep2000 16Pb 207.20000000 14.00000000 PAW_PBE Pb_d 06Sep2000 76O 16.00000000 6.00000000 PAW_PBE O 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 Ta Pb O 1.0 22.3459100600000014 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.4284386700000002 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.5449144199999996 Ta Pb O 24 16 76Direct 0.4153946100000000 0.2500000000000000 0.2479729600000000 0.2500000000000000 0.2500000000000000 0.2500000000000000 0.3317954200000000 0.5000000000000000 0.5000000000000000 0.1682045800000000 0.0000000000000000 0.0000000000000000 0.3317954200000000 0.0000000000000000 0.5000000000000000 0.1682045800000000 0.5000000000000000 0.0000000000000000 0.4153946100000000 0.7500000000000000 0.7520270400000000 0.5846053900000000 0.7500000000000000 0.7520270400000000 0.2500000000000000 0.7500000000000000 0.7500000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.5846053900000000 0.2500000000000000 0.2479729600000000 0.9153946100000000 0.7500000000000000 0.7479729600000000 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0.3720645100000000 0.0613096300000000 0.4415129200000000 0.3720645100000000 0.9386903700000000 0.0584870800000000 0.3720645100000000 0.7290117400000000 0.0536949900000000 0.3707497500000000 0.7290117400000000 0.4463050100000000 0.3707497500000000 0.0613096300000000 0.0584870800000000 0.3720645100000000 0.0000000000000000 0.7500000000000000 0.4341469400000000 0.0000000000000000 0.2500000000000000 0.5658530600000000 0.0613096300000000 0.5584870800000000 0.6279354900000000 0.0613096300000000 0.9415129200000000 0.6279354900000000 0.9386903700000000 0.5584870800000000 0.6279354900000000 0.9386903700000000 0.9415129200000000 0.6279354900000000 0.1663034400000000 0.7500000000000000 0.6949582999999999 0.0000000000000000 0.7500000000000000 0.8209149000000000 0.1030939300000000 0.9425478700000000 0.8766195700000000 0.1030939300000000 0.5574521299999999 0.8766195700000000 0.6695574900000000 0.7500000000000000 0.4341572200000000vasp-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 3 2 0.000 0.000 0.000