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<div class="moz-cite-prefix">Dear David,<br>
as the output says:<br>
<br>
calculation 'vc_relax' not allowed<br>
<br>
And indeed vc_relax is not a valid calculation type. The valid
string you have to insert is 'vc-relax'.<br>
<br>
Best,<br>
Giovanni<br>
<br>
<br>
On 03/27/2014 03:28 PM, David Foster wrote:<br>
</div>
<blockquote
cite="mid:1395930520.28125.YahooMailBasic@web125405.mail.ne1.yahoo.com"
type="cite">
<pre wrap="">Dear Users,
I have relaxed a bulk of Pd with "calculation=relax", but I get error when I change it with
"calculation=vc-relax". I added the card needed to the input. I have attached input and
its output containing the error.
It will be appreciated if anyone help.
Regards
David Foster
Ph.D. Student of Chemistry</pre>
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<br>
<br>
<pre class="moz-signature" cols="72">--
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124</pre>
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