Dear Giuseppe and Paolo<br>Thank you very much for your kind answers.<br>I will use the classroom codes of Paolo to provide some Hartree calculations on Helium atom.<br>Kind regards<br>SJ Hashemifar<br clear="all">======================================<br>
Seyed Javad Hashemifar<br>Department of Physics, Isfahan University of Technology<br>84156-83111 Isfahan, Iran<br>Tel: +98 311 391 2375 Fax:+98 311 3912376<br>Email: <a href="mailto:hashemifar@cc.iut.ac.ir" target="_blank">hashemifar@cc.iut.ac.ir</a><br>
Group Homepage: <a href="http://cmsgroup.iut.ac.ir" target="_blank">http://cmsgroup.iut.ac.ir</a><br>Personal Homepage: <a href="http://hashemifar.iut.ac.ir" target="_blank">http://hashemifar.iut.ac.ir</a><br>---------------------------------------------------------------------------<br>
<br><br><div class="gmail_quote">On Wed, Feb 29, 2012 at 9:00 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
On Wed, 2012-02-29 at 17:26 +0330, Seyed Javad Hashemifar wrote:<br>
<br>
> For educational purpose, I am looking for some Hartree calculations<br>
<div class="im">> on small molecules such as H2.<br>
<br>
</div>not sure QE is the right tool for such a simple problem. Here some<br>
simpler tools:<br>
<a href="http://www.fisica.uniud.it/%7Egiannozz/Corsi/MQ/mq.html" target="_blank">http://www.fisica.uniud.it/~giannozz/Corsi/MQ/mq.html</a><br>
<span class="HOEnZb"><font color="#888888"><br>
P.<br>
--<br>
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy<br>
</font></span><div class="HOEnZb"><div class="h5"><br>
<br>
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