<div dir="ltr"><div>Hi Juerg,</div><div><br></div><div>Thank you very much for the confirmation. Matt (Watkins, from UCL) has just implemented such a hack. </div><div><br></div><div>Best regards,</div><div><br></div><div>Lianheng</div><br><br>On Tuesday, 21 January 2014 08:27:56 UTC, jgh  wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi
<br>
<br>I don't think this is possible without changes to the code.
<br>Depending on what you really want to do a more or less elaborate
<br>hack is necessary.
<br>
<br>regards
<br>
<br>Juerg Hutter 
<br>
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<br>Juerg Hutter                         Phone : ++41 44 635 4491
<br>Institut für Chemie                  FAX   : ++41 44 635 6838
<br>Universität Zürich                   E-mail: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="lHTYxpm9tkkJ" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">hut...@chem.uzh.ch</a>
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<br>From: Lianheng Tong 
<br>Sent by: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="lHTYxpm9tkkJ" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>
<br>Date: 01/20/2014 04:43PM
<br>Subject: [CP2K:4905] Starting a CP2K calculation from a user supplied charge density file?
<br>
<br>Hi all,
<br>
<br>This is my first post.
<br>
<br>I am wondering if anyone knows a way of calculating the non-self-consistent DFT energy from an initial subsystem structure and a user supplied electron density file (such as in CUBE format).  The exact format for the charge density is not that important, as we can convert.
<br>
<br>Thank you very much in advance!
<br>
<br>Best regards,
<br>
<br>Lianheng
<br>
<br>
<br>  
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<br></blockquote></div>