Error when running the last step wann2j about tb2j

[ChenqiangHua]

pleause help me. or tell me somewhere maybe wrong? the wannierise process is succussful

the command I used is like this:
wann2J.py --efermi -0.2822 --kmesh 5 5 1 --elements Fe --prefix_up wannier90.up --prefix_down wannier90.dn --emin -10.0 --emax 0.0

Thanks!

[mailhexu]

Hi,
The error message shows that TB2J doesn't find any band in the energy range speicified by the efermi, emin and emax. Maybe these options are not correctly given, or the Wannier Hamitonian is wrong. Could you check the Wannier90 band structure, and the fermi energy.
Best wishes,
HeXu

[ChenqiangHua]

Much thanks! let me try ,maybe sth wrong in my wannier calculation or projection!

thanks again!