Dear Hutter,<div>                     thank you for your reply...<br><br><div class="gmail_quote">On Wed, Aug 22, 2012 at 1:04 PM,  <span dir="ltr"><<a href="mailto:hut...@pci.uzh.ch" target="_blank">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>
have a look at DDAPC (density fitting)<br>
<br>
 <a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/DENSITY_FITTING.html" target="_blank">http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/DENSITY_FITTING.html</a><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">hut...@pci.uzh.ch</a><br>
Winterthurerstrasse 190<br>
CH-8057 Zurich, Switzerland<br>
---------------------------------------------------------------<br>
<br>
-----<a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a> wrote: -----<br>
To: <a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a><br>
From: anirban mondal<br>
Sent by: <a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a><br>
Date: 08/21/2012 06:56PM<br>
Subject: [CP2K:3979] atomic_charge<br>
<div><div class="h5"><br>
<br>
 Dear all,<br>
              recently i had gone through a paper where they have calculated<br>
 atomic charges (for ionic liquids) using the *Blochl *approach and they<br>
<br>
mentioned that it is implemented in the cp2k package. But unfortunately i<br>
 am not getting any specific keyword for that calculation. Do you know is<br>
 there any keyword for that? If it is there please reply.<br>
<br>
 best wishes,<br>
 anirban<br>
<br>
<br>
<br>
--<br>
Anirban Mondal<br>
<br>
Molecular Simulations Lab.<br>
Jawaharlal Nehru Centre for Advanced Scientific Research<br>
Bangalore-560064<br>
India<br>
<br>
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</font></span></blockquote></div><br><br clear="all"><div><br></div>-- <br><div><b style="color:rgb(0,51,51)"><div style="display:inline!important"><b>Anirban Mondal</b></div></b></div><div style="text-align:center"><div>
<div style="text-align:center"><font color="#003333"><b><i><span style="line-height:115%" lang="EN-IN"></span></i></b></font></div><font color="#003333"><b><i><span style="line-height:115%" lang="EN-IN"></span></i></b></font></div>


</div><div><font color="#003333"><b>Molecular Simulations Lab.</b></font></div><div><font color="#003333"><b><span style="background-color:rgb(255,255,255);font-family:tahoma,arial,helvetica,sans-serif">Jawaharlal Nehru Centre for Advanced Scientific Research</span></b></font></div>
<div><font color="#003333"><b>Bangalore-560064</b></font></div><div><b style="color:rgb(0,51,51)">India</b></div><br>
</div>