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<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Dear Mohammad,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>There were two problems on the mbj potential. One was originating
from a large rho in the MT spheres at the nucleus of heavy elements , which had
been fixed before:<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'><a
href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-June/013213.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-June/013213.html</a><o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>The other recent problem originated form from a small rho in the
interstitial region for a system with very week van der Waals interactions
among light elements. This problem has been also fixed:<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'><a
href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-October/013808.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-October/013808.html</a><o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Please, find the attachment as the brj.f subroutine, which is
compatible with current version of the code, v10.1.<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Good luck,<o:p></o:p></span></p>
<div>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Sincerely yours,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>S. Jalali<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Saeid Jalali Asadabadi,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Department of Physics, Faculty of Science,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>University of Isfahan (UI), Hezar Gerib Avenue,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>81744 Isfahan, Iran.<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Phones:<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Dep. of Phys. :+98-0311-793 2435<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Office
:+98-0311-793 4176<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Fax
No.
:+98-0311-793 2409<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>E-mail
:sjalali@phys.ui.ac.ir<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>
:sjalali@sci.ui.ac.ir<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>
:sjalali@mailaps.org<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>
:saeid.jalali.asadabadi@gmail.com<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>
:s_jalali_a@yahoo.com<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Homepage
:http://sci.ui.ac.ir/~sjalali<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>www
:http://www.ui.ac.ir<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<o:p></o:p></span></p>
</div>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'><o:p> </o:p></span></p>
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<p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>From:</span></b><span
style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>
wien-bounces@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces@zeus.theochem.tuwien.ac.at] <b>On Behalf Of </b>Mohamad
Monazam<br>
<b>Sent:</b> Monday, October 25, 2010 5:58 PM<br>
<b>To:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Subject:</b> [Wien] necessary modification to brj.f90<o:p></o:p></span></p>
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<p class=MsoNormal><o:p> </o:p></p>
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<p class=MsoNormal><span style='color:black'>Dear Saeid,<o:p></o:p></span></p>
</div>
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<p class=MsoNormal><span style='color:black'><o:p> </o:p></span></p>
</div>
<p class=MsoNormal><span style='color:black'>What exactly needed to be changed
in the brj.f90 to fixed the problem in mbj calculation. I had problem with mbj
in parallel mode, you already reported, with my case and I hope this fixes it
up. <o:p></o:p></span></p>
<div>
<p class=MsoNormal><span style='color:black'><o:p> </o:p></span></p>
</div>
<div>
<p class=MsoNormal><span style='color:black'>best regards,<o:p></o:p></span></p>
</div>
<div>
<p class=MsoNormal><span style='color:black'>mohammad<o:p></o:p></span></p>
</div>
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<p class=MsoNormal><o:p> </o:p></p>
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