<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">Dear Prof. Faccio,<br><br>Thank you!<br><br>Vi <br><div><br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Ricardo Faccio <rfaccio@fq.edu.uy><br><b><span style="font-weight: bold;">To:</span></b> PWSCF Forum <pw_forum@pwscf.org><br><b><span style="font-weight: bold;">Sent:</span></b> Thu, June 10, 2010 12:50:26 PM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [Pw_forum] DFT+U<br></font><br>
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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 rel="nofollow" ymailto="mailto:rfaccio@fq.edu.uy" target="_blank" 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><span>
Web: <a target="_blank" href="http://cryssmat.fq.edu.uy/ricardo/ricardo.htm">http://cryssmat.fq.edu.uy/ricardo/ricardo.htm</a></span><br>---------------------------------------------------------------------------------</div>
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<div style="font: 10pt arial;">----- Original Message ----- </div>
<div style="background: none repeat scroll 0% 0% rgb(228, 228, 228); font: 10pt arial;"><b>From:</b>
<a rel="nofollow" title="vovi47@yahoo.com" ymailto="mailto:vovi47@yahoo.com" target="_blank" href="mailto:vovi47@yahoo.com">Vi Vo</a> </div>
<div style="font: 10pt arial;"><b>To:</b> <a rel="nofollow" title="pw_forum@pwscf.org" ymailto="mailto:pw_forum@pwscf.org" target="_blank" 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_1276199556_4">Chemical
Engineering Department</span><br><span class="yshortcuts" id="lw_1276199556_5">University
of Houston</span></div></div><br>
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