# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ddc324bd-021a-43a6-9886-f0e29aac2bf4/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 Na2Sb4O11 / R-3c (167) / materials id 780683](https://mdr.nims.go.jp/datasets/08f6183c-1373-40bf-a346-cd9c9e9cf84b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 4 4 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 24Sb 121.75000000 5.00000000 PAW_PBE Sb 06Sep2000 66O 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 Na Sb O 1.0 6.2622925000000000 0.0000000000000000 0.0000000000000000 -3.1311462500000000 5.4233043900000002 0.0000000000000000 0.0000000000000000 0.0000000000000000 35.7817031399999976 Na Sb O 12 24 66Direct 0.3333333300000000 0.6666666700000000 0.3347761400000000 0.6666666700000000 0.3333333300000000 0.5014428100000000 0.3333333300000000 0.6666666700000000 0.4985571900000000 0.6666666700000000 0.3333333300000000 0.6652238600000000 0.0000000000000000 0.0000000000000000 0.6681094700000000 0.3333333300000000 0.6666666700000000 0.8347761400000000 0.0000000000000000 0.0000000000000000 0.8318905300000000 0.3333333300000000 0.6666666700000000 0.9985571900000000 0.6666666700000000 0.3333333300000000 0.0014428100000000 0.0000000000000000 0.0000000000000000 0.1681094700000000 0.6666666700000000 0.3333333300000000 0.1652238600000000 0.0000000000000000 0.0000000000000000 0.3318905300000000 0.3333333300000000 0.0276126600000000 0.4166666700000000 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0.2500000000000000 0.4022716900000000 0.3550470600000000 0.3045743600000000 0.7408024200000001 0.7408024200000001 0.2500000000000000vasp-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 4 4 1 0.000 0.000 0.000