[Wien] Need help; Supercell's folded band structure.

Hi. I can solve many technical problems by all your helps. Thank you very much..! Now new problem emerged in front of me. Very simple problem but unfortunately, it's too hard to solve for me. "How can I unfold the band structure made in 2x2x2 or some structure by 'supercell'? (without fold2bloc

Re: [Wien] Need help; Supercell's folded band structure.

Clearly your solution isfold2bloch. If you don't like the plot, you have to modify this part yourself and make a different plot, but fold2bloch captures all the relevant physics which happens due to doping. Doping may lead to a "broadening" of bands when you introduce alloying (and represe

Re: [Wien] Need help; Supercell's folded band structure.

Hello Youngboem, it would be useful to include the band structure plots from your attempts. Otherwise it is hard to guess what went wrong. Also, before plotting, it will be helpful to look at a part of the output that contains the Bloch spectrum weights for the conduction band maximum and the