Juerg,<div><br></div><div>  Awesome. Your comments make my life much easier. </div><div><br></div><div>  Thanks.</div><div><br></div><div>Hanning</div><div><br><br><div class="gmail_quote">On Tue, Sep 14, 2010 at 11:19 AM, Juerg Hutter <span dir="ltr"><<a href="mailto:hut...@pci.uzh.ch">hut...@pci.uzh.ch</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Hi<br>
<br>
there is currently only the calculation of the response current<br>
density within the NMR code. To calculate the current<br>
density you have to call the routine<br>
calculate_rho_elec<br>
and then use ga_gb_function=FUNC_ADBmDAB<br>
in the call to<br>
collocate_pgf_product_rspace.<br>
<br>
For a template see calculate_drho_elec<br>
<br>
regards<br>
<br>
Juerg<br>
<br>
----------------------------------------------------------<br>
Juerg Hutter                   Phone : ++41 44 635 4491<br>
Physical Chemistry Institute   FAX   : ++41 44 635 6838<br>
University of Zurich           E-mail: <a href="mailto:hut...@pci.uzh.ch" target="_blank">hut...@pci.uzh.ch</a><br>
Winterthurerstrasse 190<br>
CH-8057 Zurich, Switzerland<br>
----------------------------------------------------------<div><div></div><div class="h5"><br>
<br>
<br>
On Tue, 14 Sep 2010, Hanning Chen wrote:<br>
<br>
</div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div></div><div class="h5">
Dear CP2K community,<br>
<br>
 I am wondering if I can output the current density (Jx Jy Jz) in CP2K as<br>
defined in the following page:<br>
<br>
  <a href="http://en.wikipedia.org/wiki/Probability_current" target="_blank">http://en.wikipedia.org/wiki/Probability_current</a><br>
<br>
 Thanks.<br>
<br>
Hanning Chen<br>
Northwestern University<br>
<br></div></div>
-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>.<br>
For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>.<br>
<br>
<br>
</blockquote>
<br>
-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>.<br>
For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>.<br>
<br>
</blockquote></div><br></div>