[Pw_forum] smearing

Paolo Giannozzi giannozz at democritos.it
Tue Mar 15 19:05:50 CET 2011


Iurii TIMROV wrote:

> In espresso-4.3a you will find somewhat different:

I was fed up with the question "why can't I use tetrahedra in
scf calculations". You want tetrahedra? we'll give you tetrahedra.
After all as long as you do not calculate forces, things are ok
(in principle and in practise; if you calculate forces they might
also be ok in practice, not in principle)

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy



More information about the users mailing list