# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/aa1d25ce-5408-47cf-b88d-54c8b37105bb/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 ZnTe6O13 / R-3 (148) / materials id 560198](https://mdr.nims.go.jp/datasets/055a160a-a630-4d59-8cd1-4142a5973760)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 6Zn 65.39000000 12.00000000 PAW_PBE Zn 06Sep2000 36Te 127.60000000 6.00000000 PAW_PBE Te 08Apr2002 78O 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 Zn Te O 1.0 10.0799579700000006 -0.0000000100000000 0.0000000000000000 -5.0399789799999999 8.7294996699999992 0.0000000000000000 0.0000000000000000 0.0000000000000000 18.9273929099999982 Zn Te O 6 36 78Direct 0.3333333300000000 0.6666666700000000 0.4108131800000000 0.3333333300000000 0.6666666700000000 0.9225201600000000 0.0000000000000000 0.0000000000000000 0.7441465100000000 0.0000000000000000 0.0000000000000000 0.2558534900000000 0.6666666700000000 0.3333333300000000 0.0774798400000000 0.6666666700000000 0.3333333300000000 0.5891868200000000 0.2396970100000000 0.1619371100000000 0.0937967900000000 0.8380628900000000 0.0777599000000000 0.0937967900000000 0.4269696500000000 0.1713962200000000 0.2395365500000000 0.0945154400000000 0.4921390200000000 0.0758948800000000 0.7444265700000000 0.5730303500000000 0.2395365500000000 0.9222401000000000 0.7603029900000000 0.0937967900000000 0.8286037800000000 0.2555734300000000 0.2395365500000000 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0.2508081700000000 0.2525088400000000 0.9516249700000000 0.5858421800000000 0.6683673400000000 0.7150416900000001 0.5523588400000000 0.1300793700000000 0.5258492800000000vasp-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