# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/4e507119-a6c2-4eac-a432-98e3fbaa7fa8/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 Na5(InTe3)2 / Cmc2_1 (36) / materials id 505045](https://mdr.nims.go.jp/datasets/15af19d9-4ffa-4840-8d4d-0f5bac3ccba2)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 40Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 16In 114.82000000 13.00000000 PAW_PBE In_d 06Sep2000 48Te 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 = 337.429300 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 In Te 1.0 9.0661039599999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 14.9347231899999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 23.3710440000000013 Na In Te 40 16 48Direct 0.7481706000000000 0.9923469000000000 0.2468769200000000 0.2518294000000000 0.0076531000000000 0.7468769200000001 0.2518294000000000 0.9923469000000000 0.2468769200000000 0.7481706000000000 0.0076531000000000 0.7468769200000001 0.2578643700000000 0.2426957000000000 0.2534315500000000 0.7421356299999999 0.7573043000000000 0.7534315499999999 0.7421356299999999 0.2426957000000000 0.2534315500000000 0.2578643700000000 0.7573043000000000 0.7534315499999999 0.7415858100000000 0.8272185599999999 0.0882887300000000 0.2584141900000000 0.1727814400000000 0.5882887299999999 0.2584141900000000 0.8272185599999999 0.0882887300000000 0.7415858100000000 0.1727814400000000 0.5882887299999999 0.2365697200000000 0.0775194200000000 0.4118449200000000 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0.1155820000000000 0.3079670100000000 0.0000000000000000 0.8844180000000000 0.8079670100000000 0.0000000000000000 0.3629864300000000 0.1905178000000000 0.0000000000000000 0.6370135699999999 0.6905178000000001 0.0000000000000000 0.0259373500000000 0.9976482200000000 0.0000000000000000 0.9740626500000000 0.4976482200000000 0.2436306500000000 0.3795800100000000 0.3601424600000000 0.7563693499999999 0.6204199900000000 0.8601424600000001 0.7563693499999999 0.3795800100000000 0.3601424600000000 0.2436306500000000 0.6204199900000000 0.8601424600000001 0.7607212800000001 0.6291407600000001 0.1403718400000000 0.2392787200000000 0.3708592400000000 0.6403718400000000 0.2392787200000000 0.6291407600000001 0.1403718400000000 0.7607212800000001 0.3708592400000000 0.6403718400000000 0.0000000000000000 0.4528891000000000 0.0054424300000000 0.0000000000000000 0.5471109000000001 0.5054424300000000 0.0000000000000000 0.6206218600000000 0.3236189400000000 0.0000000000000000 0.3793781400000000 0.8236189400000000 0.0000000000000000 0.1286016800000000 0.6781730900000000 0.0000000000000000 0.8713983199999999 0.1781730900000000 0.0000000000000000 0.2040122800000000 0.4928717600000000 0.0000000000000000 0.7959877200000001 0.9928717600000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 337.429300 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 1 1 0.000 0.000 0.000