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<DIV><FONT face=Arial size=2>Hi,</FONT></DIV>
<DIV><FONT face=Arial size=2>I'm going to first of all send the code to the
Quantum-Espresso team so they can check the changes I've made, and when they OK
it, I'll send the code to you,</FONT></DIV>
<DIV><FONT face=Arial size=2>Helen</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> Tuesday, March 24, 2009 7:12
AM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> Re: [Pw_forum] HSE
pseudopotentials + BNL functional</DIV>
<DIV><BR></DIV>Dear Eisenberg:<BR> I'm very exciting for your BNL
information. Would you like to share your Q-E code implemented with BNL
funciontal with me and send it to my box <A
href="mailto:sporevoyager@gmail.com">sporevoyager@gmail.com</A> ? I may test
the BNL calculation on formation energy of Si-defects and compare the results
with HSE results in other work. <BR> Thanks in advance.<BR> Best
regards!<BR> <BR> shangy <BR> Graduate unversity of Chinese
academy of sciences <BR><BR>
<DIV class=gmail_quote>2009/3/23 Helen <SPAN dir=ltr><<A
href="mailto:helen@fh.huji.ac.il">helen@fh.huji.ac.il</A>></SPAN><BR>
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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/" target=_blank>Fritz Haber Research Center
for Molecular Dynamics</A>, </FONT></FONT></H6><FONT face=Arial></FONT>
<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.huji.ac.il/" target=_blank>The Hebrew University of
Jerusalem</A></FONT></FONT></H6></FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV></DIV></BLOCKQUOTE></DIV>
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