[Pw_forum] Two vacuum energies with dipole correction
Paolo Giannozzi
paolo.giannozzi at uniud.it
Wed Apr 17 21:50:16 CEST 2013
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
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