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<DIV><FONT face=Arial size=2>Hi</FONT></DIV>
<DIV><FONT face=Arial size=2>If you use GGA pseudos, then you will get
GGA+U results.</FONT></DIV>
<DIV><FONT face=Arial size=2>Regards</FONT></DIV>
<DIV><FONT face=Arial size=2>Ricardo</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV>-------------------------------------------------------------------------<BR>
Dr. Ricardo Faccio<BR> Prof. Adjunto de Física <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 2 924
98
59<BR>
598 2 929 06 48<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><BR>---------------------------------------------------------------------------------</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=vovi47@yahoo.com href="mailto:vovi47@yahoo.com">Vi Vo</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=pw_forum@pwscf.org
href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Thursday, June 10, 2010 4:47
PM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [Pw_forum] DFT+U</DIV>
<DIV><BR></DIV>
<DIV
style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman,new york,times,serif">
<DIV>Dear PWSCF users,<BR><BR>In the PW_INPUT, I see there is an option for
using LDA+U. Is it true that only LDA can be used with QE. How
about GGA+U and PBE+U? Are they implemented? <BR><BR>Thank you very
much,<BR><BR>Vi Vo<BR><SPAN class=yshortcuts id=lw_1276199146_0
style="BACKGROUND: none transparent scroll repeat 0% 0%; CURSOR: pointer">Chemical
Engineering Department</SPAN><BR><SPAN class=yshortcuts id=lw_1276199146_1
style="CURSOR: pointer; BORDER-BOTTOM: rgb(54,99,136) 2px dotted">University
of Houston</SPAN></DIV></DIV><BR>
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