[Pw_forum] Improve convergence, slab and electric field.
joaquin peralta
jperaltac at gmail.com
Mon Aug 30 21:43:44 CEST 2010
Dear Tone
Thanks you so much for the answer.
> > edir = 3
> > emaxpos = 0.9
> > eopreg = 0.2
> > eamp = 0.019447
> > /
>
> This input explains why you face SCF problems: they are inevitable with
> your dipole-layer specification. You have placed your dipole layer
> from 0.9 to 0.9+0.2=1.1. Note that position of emaxpos/eopreg is in
> internal units, in range [0,1].
>
Now I'm a little bit confused, because i use a previous thread about that
http://www.democritos.it/pipermail/pw_forum/2009-December/015430.html
What I have to do?
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