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

2015-10-01 Thread Oleg Rubel
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

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

2015-10-01 Thread Peter Blaha
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