# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/a2638cc1-b142-49e7-887d-5a12a907d503/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 Ti5(PO5)4 / P2_12_12_1 (19) / materials id 559530](https://mdr.nims.go.jp/datasets/829b440e-deca-4f62-ae79-5e98ff53b8d9)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 20Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 80O 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 Ti P O 1.0 7.5474568299999998 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.8446017599999998 0.0000000000000000 0.0000000000000000 0.0000000000000000 14.4406368900000004 Ti P O 20 16 80Direct 0.1086572600000000 0.1447846100000000 0.1783797700000000 0.3765780800000000 0.3759026600000000 0.4420899300000000 0.1468832700000000 0.3829887700000000 0.0546818300000000 0.6086572600000000 0.3552153900000000 0.8216202300000000 0.8913427400000000 0.6447846100000000 0.3216202300000000 0.1234219200000000 0.6240973400000001 0.9420899300000000 0.6470788400000000 0.6064376200000000 0.7050455500000000 0.6234219200000000 0.8759026599999999 0.0579100700000000 0.4026270100000000 0.1332106400000000 0.3292110000000000 0.6468832700000000 0.1170112300000000 0.9453181700000000 0.0973729900000000 0.8667893600000001 0.8292110000000000 0.3531167300000000 0.6170112300000000 0.5546818300000000 0.3913427400000000 0.8552153900000000 0.6783797700000000 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0.8313872000000000 0.1823335300000000 0.8311930800000000 0.0617950400000000 0.6793478100000000 0.3790021000000000 0.0760600400000000 0.9342080400000000 0.8631878400000000 0.4446317100000000 0.5612591400000000 0.6209979000000000 0.5760600400000000 0.5657919600000000 0.6163389400000000 0.0504594200000000 0.8138335300000000 0.6985215700000000 0.9993276400000000 0.9977169700000000 0.3582832000000000 0.8153734300000000 0.3147622500000000 0.0427561500000000 0.7490998799999999 0.8794512700000000 0.5427561500000000 0.7509001200000001 0.1205487300000000 0.3830797400000000 0.9315439400000000 0.0552777600000000 0.3311930800000000 0.4382049600000000 0.3206521900000000 0.5942208300000000 0.1920165800000000 0.0545437300000000 0.1391839000000000 0.3239315700000000 0.4421981200000000 0.8770374500000000 0.1644875100000000 0.9187651900000000 0.8608161000000000 0.8239315700000001 0.0578018800000000 0.3370036300000000 0.9220744000000000 0.5654326900000000 0.8836610600000000 0.9495405800000000 0.3138335300000000 0.1688069200000000 0.5617950400000000 0.8206521900000000 0.8830797400000000 0.5684560599999999 0.9447222400000000 0.6688069200000000 0.9382049600000000 0.1793478100000000 0.4572438500000000 0.2509001200000000 0.3794512700000000 0.5972330400000000 0.8120972800000000 0.9360888100000000 0.1234238900000000 0.4284156900000000 0.6970293000000001 0.7712841600000000 0.5150493900000002 0.2404471000000000 0.9027669600000000 0.1879027200000000 0.4360888100000000 0.2712841600000000 0.9849506099999999 0.7595529000000000 0.8863246200000000 0.3140063900000000 0.8076967800000000 0.6229625500000000 0.8355124899999999 0.4187651900000000 0.8790021000000000 0.4239399600000000 0.0657919600000000 0.8825127000000000 0.0886527100000000 0.1952477200000000 0.6234238900000000 0.0715843100000000 0.3029707000000000 0.3770374500000000 0.3355124900000000 0.0812348100000000 0.8014784300000000 0.0006723600000000 0.4977169700000000vasp-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 3 2 1 0.000 0.000 0.000