For basic steps please see the tutorial (GaAs, sp3 bonding) on youtube:
https://www.youtube.com/watch?v=R4c1YHDh3GE
You need to plot the band structure before staring with Wannier
functions, if you would like to compare it with the Wannier interpolated
band structure later.
I hope this will
Dear wien2k developers and users,
I am doing wien2wannier calculations. I just want to know which kind of wien2k
calculation should be done as the starting point of wien2wannier run.whenever I
do a band calculation at the first, I will get a subdir_band.dat fileĀ at the
end and I can compare
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