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<div><font style="font-family:Arial;font-size:10pt;">
<div>Hi , just find the path to the <font
style="font-family:Arial;font-size:10pt;">dftd3.dat</font> file and specify
it in VDW sectrion in your input file. Something like :<br />
&VDW_POTENTIAL<br />
POTENTIAL_TYPE
PAIR_POTENTIAL<br />
&PAIR_POTENTIAL<br />
TYPE
DFTD3<br />
PARAMETER_FILE_NAME <font style="font-family:Arial;font-size:10pt;">
/cp2k/trunk/cp2k/tests/QS/dftd3.dat</font><br />
REFERENCE_FUNCTIONAL PBE<br />
&END PAIR_POTENTIAL<br
/>
&END VDW_POTENTIAL<br />
<br />
I have this file in one of the test folders
/cp2k/trunk/cp2k/tests/QS/dftd3.dat<br />
You can copy this file to your working dir, than you do not need to give any
path to this file. That's it !</div>
<div> </div>
<div>good luck!<br />
</div>
</font></div>
<div><font size="2">=============================</font></div>
<div align="left"><font size="2">Assist. Prof. Dr. Petko St. Petkov <br />
Faculty of Chemistry and Pharmacy <br />
University of Sofia <br />
1126 Sofia, Bulgaria <br />
tel: +359 2 8161 433 </font><br />
website: <a
href="http://computationalcatalysis.eu/Joomla_1.6.1/index.php/assis-prof-dr-petko-st-petkov">
http://computationalcatalysis.eu</a></div>
<div align="left">===============================</div>
<div> </div>
<blockquote style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px;
BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px"> -----Original
Message-----<br />
From: ADIL <adil....@gmail.com><br />
To: cp...@googlegroups.com<br />
Date: Wed, 2 Apr 2014 08:53:27 -0700 (PDT)<br />
Subject: [CP2K:5127] question<br />
<br />
<div dir="ltr"><br />
<span lang="en" id="result_box"><span class="hps">Hi</span><span>, I
have a</span> <span class="hps">topic of</span> <span class="hps">ab
initio</span> <span class="hps">simulation</span> <span class="hps">of</span>
<span class="hps">ZnO</span> <span class="hps">zinc</span> <span
class="hps">blend</span> <span class="hps">structure</span> <span
class="hps">and I'm</span> <span class="hps">in a</span> <span class="hps">
first</span> <span class="hps">cell</span> <span class="hps">optimizer</span>
<span>, after</span> <span class="hps">compilation</span> <span class="hps">
from errors</span> <span class="hps">I have a</span> <span class="hps">
message of the form</span><span>: ERROR</span> <span class="hps">in</span>
<span class="hps">open_file</span> <span class="hps">(MODULE</span> <span
class="hps">cp_files</span><span>)</span> <span class="hps">**</span> <span
class="hps">*</span> <br />
<span class="hps">********************************************</span>
<br />
<br />
<span class="hps">OLD</span> <span class="hps">***</span> <span
class="hps">The</span> <span class="hps">specified</span> <span class="hps
atn">file <</span><span>./DFTD3.DAT</span><span>></span> <span
class="hps">can not be opened</span><span>.</span> <span class="hps">
It</span> <span class="hps">Does not</span> <span class="hps">***</span> <br
/>
<span class="hps">***</span> <span class="hps">Exist</span><span>
.</span> ""<br />
<span class="hps">and</span> <span class="hps">I did not</span> <span
class="hps">manage to</span> <span class="hps">know</span> <span class="hps">
the problem</span></span></div>
<div> </div>
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</blockquote>
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