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<DIV><FONT face=Arial size=2>Dear Soran</FONT></DIV>
<DIV><FONT face=Arial size=2> Concerning Wien2k
and LDA+U</FONT></DIV>
<DIV><FONT face=Arial size=2><A
href="http://www.wien2k.at/reg_user/textbooks/orbital_potentials.ps">http://www.wien2k.at/reg_user/textbooks/orbital_potentials.ps</A></FONT></DIV>
<DIV><FONT face=Arial size=2><A
href="http://www.wien2k.at/reg_user/textbooks/Constraint_U.pdf">http://www.wien2k.at/reg_user/textbooks/Constraint_U.pdf</A></FONT></DIV>
<DIV><FONT face=Arial size=2>I guess the best choose is to read this review
about the subject:</FONT></DIV>
<DIV>Anisimov and F. Aryasetiawan and A.I. Lichtenstein, J.Phys.: Condens.
Matter 9 (1997) 767</DIV>
<DIV>Best Regards </DIV>
<DIV>Ricardo</DIV>
<DIV>-------------------------------------------------------------------------<BR>-----
Ing. Quím. Ricardo Faccio<BR> <BR> Mail: Cryssmat-Lab., Cátedra de
Física, DETEMA<BR> Facultad de Química, Universidad de la
República<BR> Av. Gral. Flores 2124, C.C.
1157<BR> C.P. 11800, Montevideo,
Uruguay.<BR> E-mail: <A
href="mailto:rfaccio@fq.edu.uy">rfaccio@fq.edu.uy</A><BR> Phone: 598 2
9241860 Int.
109<BR>
598 2 9290705<BR> Fax: 598 2 9241906<BR>
Web: <A
href="http://cryssmat.fq.edu.uy/ricardo/ricardo.htm">http://cryssmat.fq.edu.uy/ricardo/ricardo.htm</A></DIV>
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<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=soran.nabavi@gmail.com href="mailto:soran.nabavi@gmail.com">soran
nabavi</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A
title=wien@zeus.theochem.tuwien.ac.at
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Monday, February 26, 2007 5:58
AM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> Re: [Wien] strongly correlated
electron systems</DIV>
<DIV><BR></DIV>Dear Ricardo Faccio<BR>With many thanks for your
guidance;<BR>but in LDA+U approximation method, the system is considered only
with its potential energy(exchange energy) but in strongly correlated electron
system the competition between two models of energy(kinetic and potential) is
occurred. <BR>In section 4.5.6 this problem is been solved but with any
references!<BR>Could you send me the references for this issue?<BR>best
regards<BR><BR>Message: 22<BR>> Date: Tue, 20 Feb 2007 16:28:02
+0330<BR>> From: "soran nabavi" < <A
href="mailto:soran.nabavi@gmail.com">soran.nabavi@gmail.com</A>><BR>>
Subject: [Wien] strong correlated electron<BR>> To: "<A
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>
"<BR>> <<A
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>><BR>>
Message-ID:<BR>> <<A
href="mailto:137e4d610702200458o222f32fcoa520ad31ba77f480@mail.gmail.com">
137e4d610702200458o222f32fcoa520ad31ba77f480@mail.gmail.com</A>><BR>>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed<BR>> <BR>>
Dear users<BR>> I have question for using the Wien2k code<BR>> how we
can use this code for "Highly correlated electron systems"? <BR>> Is it
possible?<BR>> best regards<BR>> <BR>> <BR>>
------------------------------<BR>> <BR>> Message: 23<BR>> Date: Tue,
20 Feb 2007 11:31:23 -0300<BR>> From: "Ricardo Faccio" < <A
href="mailto:rfaccio@fq.edu.uy">rfaccio@fq.edu.uy</A>><BR>> Subject: Re:
[Wien] strong correlated electron<BR>> To: "A Mailing list for WIEN2k
users"<BR>> <<A
href="mailto:wien@zeus.theochem.tuwien.ac.at">
wien@zeus.theochem.tuwien.ac.at</A>><BR>> Message-ID:
<000c01c754fb$cf4b1fc0$074228c8@RICARDOF><BR>> Content-Type:
text/plain; format=flowed;
charset="iso-8859-1";<BR>> reply-type=original
<BR>> <BR>> Dear Soran<BR>> Wien works with
the LDA+U scheme, for studying strong correlated<BR>> electrons. Please
read the section 4.5.6 of the user guide for more details,<BR>> there is
described how to use the orbital potentials (in particular the -orb <BR>>
options).<BR>> Good luck<BR>> Ricardo<BR>>
<BR><BR><BR><BR>
<P>
<HR>
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