[Wien] screening in eece

[Peter Blaha]

Currently one uses a certain (fixed) fraction of exact exchange and one 
can argue that this fraction comes because of screening. But since this 
fraction is fixed, also the "screening" is the same for all systems, 
which is of course unphysical (metals should have more screening, 4f 
elements maybe even less).

What one would need is a variable amount of "screening" depending on the 
material you calculate.

And of course: Taking "less exact exchange" is NOT the same as taking 
"full exact exchange" AND "full exact correlation".

Am 25.05.2010 09:18, schrieb Amene Nouri:
> Hello all wien2k users
>
> I have 2 questions about eece method.
>
> Does exact exchange for correlated electrons method consider screening
> or not and how?
>
> Why this method exaggerates magnetic moments for metals if it considers
> screening?
>
> Thanks in advance
>
>
>
>
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-- 
Peter Blaha
Inst.Materialchemie, TU Wien
Getreidemarkt 9
A-1060 Vienna
Austria