# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7135c673-4ab7-44a1-b27d-86795245d95c/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 Zn3TeO6 / C2/c (15) / materials id 13199](https://mdr.nims.go.jp/datasets/621fb1bd-b86b-4091-be5e-295a5c168740)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 36Zn 65.39000000 12.00000000 PAW_PBE Zn 06Sep2000 12Te 127.60000000 6.00000000 PAW_PBE Te 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 O Zn Te 1.0 14.8917597300000004 0.0000000000000000 -0.0244200100000000 0.0000000000000000 8.8711123500000006 0.0000000000000000 -0.5292471600000000 0.0000000000000000 10.3533827100000000 O Zn Te 72 36 12Direct 0.5713215200000000 0.6619434700000000 0.9280279600000000 0.4286784800000000 0.6619434700000000 0.5719720400000000 0.4286784800000000 0.3380565300000000 0.0719720400000000 0.5713215200000000 0.3380565300000000 0.4280279600000000 0.5732946800000001 0.9980390800000000 0.9298386199999999 0.4267053200000000 0.9980390800000000 0.5701613800000001 0.4267053200000000 0.0019609200000000 0.0701613800000000 0.5732946800000001 0.0019609200000000 0.4298386200000000 0.6089240400000000 0.8415562900000000 0.6998063800000001 0.3910759600000000 0.8415562900000000 0.8001936199999999 0.3910759600000000 0.1584437100000000 0.3001936200000000 0.6089240400000000 0.1584437100000000 0.1998063800000000 0.7251103100000000 0.8443772899999999 0.9032360600000000 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0.1640780100000000 0.5020750700000001 0.8038989400000001 0.1640780100000000 0.4979249300000000 0.3038989400000000 0.8359219900000000 0.4979249300000000 0.1961010600000000vasp-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 1 2 2 0.000 0.000 0.000