[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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