# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/3d7d5c13-950d-42b1-ba46-709486b2c4af/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 SrPHO4 / Pbca (61) / materials id 735022](https://mdr.nims.go.jp/datasets/834a9682-3b02-401c-9a42-29c1b9fbe69a)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 16H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 64O 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 Sr P H O 1.0 8.0926829100000006 0.0000000000000000 -0.0000000100000000 0.0000000000000000 9.2093779700000002 0.0000000000000000 -0.0000000200000000 0.0000000000000000 18.0127440900000018 Sr P H O 16 16 16 64Direct 0.6246398900000000 0.3224373200000000 0.8745720000000000 0.1246398900000000 0.1775626800000000 0.1254280000000000 0.3753601100000000 0.8224373200000000 0.6254280000000000 0.8753601100000000 0.6775626800000000 0.3745720000000000 0.3753601100000000 0.6775626800000000 0.1254280000000000 0.8753601100000000 0.8224373200000000 0.8745720000000000 0.6246398900000000 0.1775626800000000 0.3745720000000000 0.1246398900000000 0.3224373200000000 0.6254280000000000 0.3673972900000000 0.6832424100000001 0.8826934500000000 0.8673972900000000 0.8167575800000000 0.1173065500000000 0.6326027100000000 0.1832424100000000 0.6173065500000000 0.1326027100000000 0.3167575800000000 0.3826934500000000 0.6326027100000000 0.3167575900000000 0.1173065500000000 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0.2163287700000000 0.0568129800000000 0.5012595600000000 0.2836712300000000 0.5568129800000000 0.9987404400000000 0.7163287700000001 0.9431870200000000 0.0012595600000000 0.2163287700000000 0.4431870200000000 0.4987404400000000 0.7836712299999999 0.9151093700000000 0.3841145700000000 0.8445230100000000 0.4151093700000000 0.1158854400000000 0.1554769900000000 0.0848906300000000 0.8841145700000000 0.6554769899999999 0.5848906300000001 0.6158854400000000 0.3445230100000000 0.0848906300000000 0.6158854300000001 0.1554769900000000 0.5848906300000001 0.8841145600000000 0.8445230100000000 0.9151093700000000 0.1158854300000000 0.3445230100000000 0.4151093700000000 0.3841145600000000 0.6554769899999999vasp-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 2 2 1 0.000 0.000 0.000