# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/f90e855f-50be-4ed6-a464-9ead8c254be7/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 SrTi4(PO4)6 / R-3 (148) / materials id 17298](https://mdr.nims.go.jp/datasets/08cd193b-29f4-4d8f-9afc-c0e87957e1d0)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 18P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 12Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 3Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 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 O P Ti Sr 1.0 8.3762976099999999 0.0000000000000000 0.0000000000000000 -4.1881488200000003 7.2540865200000004 0.0000000000000000 0.0000000000000000 0.0000000000000000 22.6113048600000006 O P Ti Sr 72 18 12 3Direct 0.1848121100000000 0.7338242600000000 0.2654538100000000 0.2661757400000000 0.4509878600000000 0.2654538100000000 0.5490121400000000 0.8151878900000000 0.2654538100000000 0.4818545500000000 0.5995090800000000 0.0678795300000000 0.4004909200000000 0.8823454800000000 0.0678795300000000 0.1176545200000000 0.5181454500000000 0.0678795300000000 0.0090240600000000 0.1849910700000000 0.0903868900000000 0.8150089300000000 0.8240329700000000 0.0903868900000000 0.1759670300000000 0.9909759400000000 0.0903868900000000 0.6576426100000000 0.1483422600000000 0.2429464400000000 0.8516577400000001 0.5093003600000000 0.2429464400000000 0.4861142500000000 0.1390952700000000 0.1393393900000000 0.6529810300000001 0.5138857500000000 0.1393393900000000 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0.2605120400000000 0.4503838600000000 0.9699586300000000 0.1898718300000000 0.7394879599999999 0.9699586300000000 0.5496161399999999 0.8101281700000000 0.9699586300000000 0.0728212900000000 0.2162828100000000 0.6967080400000000 0.1434615100000000 0.9271787100000000 0.6967080400000000 0.7837171900000000 0.8565384900000000 0.6967080400000000 0.8240329700000000 0.0090240600000000 0.9096131100000000 0.7182621000000000 0.0035722400000000 0.2518305000000000 0.9964277600000000 0.7146898500000001 0.2518305000000000 0.2853101500000000 0.2817379000000000 0.2518305000000000 0.9484045700000000 0.3297610900000000 0.0815028300000000 0.6702389100000000 0.6186434800000000 0.0815028300000000 0.3813565200000000 0.0515954300000000 0.0815028300000000 0.3849287600000000 0.3369055800000000 0.5851638299999999 0.6630944200000000 0.0480231900000000 0.5851638299999999 0.9519768100000000 0.6150712400000000 0.5851638299999999 0.6150712400000000 0.6630944200000000 0.4148361700000000 0.3369055800000000 0.9519768100000000 0.4148361700000000 0.0480231900000000 0.3849287600000000 0.4148361700000000 0.0515954300000000 0.6702389100000000 0.9184971700000000 0.3297610900000000 0.3813565200000000 0.9184971700000000 0.6186434800000000 0.9484045700000000 0.9184971700000000 0.2817379000000000 0.9964277600000000 0.7481694999999999 0.0035722400000000 0.2853101500000000 0.7481694999999999 0.7146898500000001 0.7182621000000000 0.7481694999999999 0.3333333300000000 0.6666666700000000 0.3110375900000000 0.3333333300000000 0.6666666700000000 0.0222957400000000 0.0000000000000000 0.0000000000000000 0.1488676400000000 0.6666666700000000 0.3333333300000000 0.1844656900000000 0.0000000000000000 0.0000000000000000 0.6443709200000001 0.0000000000000000 0.0000000000000000 0.3556290800000000 0.6666666700000000 0.3333333300000000 0.4822009700000000 0.3333333300000000 0.6666666700000000 0.5177990299999999 0.6666666700000000 0.3333333300000000 0.9777042600000000 0.6666666700000000 0.3333333300000000 0.6889624100000000 0.3333333300000000 0.6666666700000000 0.8155343100000000 0.0000000000000000 0.0000000000000000 0.8511323600000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.6666666700000000 0.3333333300000000 0.3333333300000000 0.3333333300000000 0.6666666700000000 0.6666666700000000vasp-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 3 1 0.000 0.000 0.000