# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1390307a-6050-4172-98ac-f781f3ffea8a/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 Sr5U3O14 / Pbca (61) / materials id 29743](https://mdr.nims.go.jp/datasets/02167a85-4283-479e-a0ba-b952e99d1bad)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 56O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 20Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 12U 238.02900000 14.00000000 PAW_PBE U 06Sep2000 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 Sr U 1.0 11.1035096400000004 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.1492622699999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.1733320799999998 O Sr U 56 20 12Direct 0.1574012800000000 0.9671366900000000 0.9292055500000000 0.6574012800000000 0.5328633100000000 0.0707944500000000 0.8425987200000000 0.4671366900000000 0.5707944500000000 0.3425987200000000 0.0328633100000000 0.4292055500000000 0.8425987200000000 0.0328633100000000 0.0707944500000000 0.3425987200000000 0.4671366900000000 0.9292055500000000 0.1574012800000000 0.5328633100000000 0.4292055500000000 0.6574012800000000 0.9671366900000000 0.5707944500000000 0.0866250400000000 0.1306427000000000 0.1094837900000000 0.5866250399999999 0.3693573000000000 0.8905162100000000 0.9133749600000000 0.6306427000000000 0.3905162100000000 0.4133749600000000 0.8693573000000000 0.6094837900000001 0.9133749600000000 0.8693573000000000 0.8905162100000000 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0.2415823000000000 0.7630463900000000 0.0200034800000000 0.2584177000000000 0.2369536100000000 0.5200034800000000 0.7584177000000000 0.2630463900000000 0.4799965200000000 0.2758277500000000 0.5044242299999999 0.2497165100000000 0.7758277500000000 0.9955757700000000 0.7502834899999999 0.7241722500000001 0.0044242300000000 0.2502834900000000 0.2241722500000000 0.4955757700000000 0.7497165100000001 0.7241722500000001 0.4955757700000000 0.7502834899999999 0.2241722500000000 0.0044242300000000 0.2497165100000000 0.2758277500000000 0.9955757700000000 0.7497165100000001 0.7758277500000000 0.5044242299999999 0.2502834900000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.5000000000000000 0.0008665600000000 0.2509262800000000 0.2423295900000000 0.5008665600000000 0.2490737200000000 0.7576704100000000 0.9991334400000000 0.7509262800000001 0.2576704100000000 0.4991334400000000 0.7490737199999999 0.7423295900000000 0.9991334400000000 0.7490737199999999 0.7576704100000000 0.4991334400000000 0.7509262800000001 0.2423295900000000 0.0008665600000000 0.2490737200000000 0.7423295900000000 0.5008665600000000 0.2509262800000000 0.2576704100000000vasp-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 2 0.000 0.000 0.000