- #1
mouadbennana
- 1
- 0
- TL;DR Summary
- using wien2wannier as an interface between Wien2k and Wannier90 to obtain maximally localized Wannier functions from Wien2k calculations.
Hi all, I hope someone can help me with this:
I am working with wien2wannier to obtain Wannier functions from wien2k calculations, but I am struggling to define the energy window needed for the init_w2w.
The outputfind file shows emin = -999.00 eV, emax = 999.00 eV, and efermi = 0.6124 Ry. However, when I use these values, I receive the following error message:
findbands -all [-999.0 999.0]
../x_lapw: No match.
If you can provide any help, I would be thankful.
I am working with wien2wannier to obtain Wannier functions from wien2k calculations, but I am struggling to define the energy window needed for the init_w2w.
The outputfind file shows emin = -999.00 eV, emax = 999.00 eV, and efermi = 0.6124 Ry. However, when I use these values, I receive the following error message:
findbands -all [-999.0 999.0]
../x_lapw: No match.
If you can provide any help, I would be thankful.