On Jan 27, 2013, at 17:16 , Amin Torabi wrote: > > For gamma only calculation, I have the following band energies: > [...] > For 4 4 3 0 0 0 sampling, I got the followings: > [...] > In both cases the gap occurs at gamma point, however, the numbers > are different.
of course they are: if you use a different k-point grid, the self- consistent potential will be different P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
