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<DIV><FONT face=Arial size=2>Dear all,</FONT></DIV>
<DIV><FONT face=Arial size=2>I've been working on a functional somewhat
similar to the HSE functional, the BNL functional (R. Baer and D. Neuhauser, PRL
94,043002 (2005)) which also has a explicit-exchange component. I have
implemented this functional into Quantum-Espresso and the full details can be
seen in our paper currently submitted for publication and on the archives:
arXive:0903.3830v1. </FONT></DIV>
<DIV><FONT face=Arial size=2>Where should I post the Quantum-Espresso code
implemented for the BNL functional?</FONT></DIV>
<DIV><FONT face=Arial size=2>Dr Helen Eisenberg</FONT></DIV>
<DIV><FONT face=Arial size=2>Post-doctoral researcher</FONT></DIV>
<DIV><FONT face=Arial size=2>
<H6 style="MARGIN: 0pt; WORD-SPACING: 0pt; TEXT-INDENT: 0pt; LINE-HEIGHT: 150%"
align=left><FONT face=Arial><FONT color=#000031><A
href="http://www.fh.huji.ac.il/">Fritz Haber Research Center for Molecular
Dynamics</A>, <!--mstheme--></FONT></FONT></H6><FONT face=Arial></FONT>
<H6 style="MARGIN: 0pt; WORD-SPACING: 0pt; TEXT-INDENT: 0pt; LINE-HEIGHT: 150%"
align=left><!--mstheme--><FONT face=Arial><FONT color=#000031><A
href="http://www.huji.ac.il/">The Hebrew University of
Jerusalem</A></FONT></FONT></H6></FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </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=sporevoyager@gmail.com
href="mailto:sporevoyager@gmail.com">shangy</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=pw_forum@pwscf.org
href="mailto:pw_forum@pwscf.org">PWSCF Forum</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Saturday, March 14, 2009 7:49
AM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [Pw_forum] HSE
pseudopotentials</DIV>
<DIV><BR></DIV>Dear all:<BR> Does anyone has the Si
pseudopotentials generated by the screened-exchange hybrid functional of Heyd,
Scuseria, and Ernerhof [HSE, J. Chem. Phys. 118, 8207 (2003)]? Can it work
well within QE? If anyone has one, would you share it with me? I'm very very
thirsty for it. Thanks in advance.<BR> Best
regards.<BR> <BR>
shangy <BR> Graduate unversity of Chinese academy
of sciences
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