On Wed, 2013-04-17 at 12:14 +0000, Ali KACHMAR wrote: > Could someone comment please in case of the mixing_mode > has an effect on the workfunction results?
mixing_mode affects the speed to convergence, not the result itself. Of course different mixing_mode may yield slightly different final results, within the convergence threshold P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
