[Wien] GGA+U or LDA+U?

[Saeid Jalali]

> Hello Wien2k users,
>    I am dealing with a low-dimensional system of
> magnetic metals. It is needed to
> add LDA+U to get correct results of them. But I
> wonder if when I use GGA'96 for
> exchange-correlation, and use -orb option when the
> SCF runs, is it called GGA+U or
> LDA+U? 
It can be called either LDA+U with some explanasion
about your treatment with the echange-correlation
functional or GGA+U: see the follwoing contributions
from Pavel and Stefaan for more information: 

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-November/004045.html
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-November/004049.html
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-November/004041.html


Sincerely yours,
S. Jalali.
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Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys.      :+98-0311-793 2435
Office             :+98-0311-793 2430
Fax No.            :+98-0311-793 2409
E-mail             :s_jalali_a at yahoo.com
http://62.60.197.217/~sjalali/ho/jalali.html
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