Lim Chiang Huay, Freda wrote: > In such cases, is there a guideline how we should set the nbnd value > to calculate the berry phase?
I think that the berry phase can be calculated only in insulators. You should use spin polarization (nspin=2) and fix the total magnetization (tot_magnetization=1, I guess). Then you can use any number of bands, as long as they are in sufficient number to accommodate all electrons (the less bands, the quicker the calculation, of course). No warranty. P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
