<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
<meta content="text/html;charset=ISO-8859-1" http-equiv="Content-Type">
</head>
<body bgcolor="#ffffff" text="#000000">
Dear Zira,<br>
<br>
It seems that you did not specify in your w2web that your calculation
is complex. Then the -c option is missing in your commandline.<br>
Session Mgmt / change info. and clic on complex calculation / save
changes.<br>
Then redo your calculations.<br>
<br>
Regards<br>
<br>
Xavier<br>
<br>
<br>
muniroh a écrit :
<blockquote cite="mid437388.64010.qm@web30707.mail.mud.yahoo.com"
type="cite">Dear users of wien2k.......<br>
<br>
I am running wien2k_08 version on a machine of type AMD processor with
2GB RAM with single pc and operating system below UNIX (Linux-PC) with
g95 and mkl (l-mkl-p-10.0.1.014)....<br>
<br>
The purpose of my calculation is to get the <span
style="font-weight: bold;">electron density</span> of GaAs......<br>
<br>
I am trying to calculate the <span style="font-weight: bold;">electron
density</span> for GaAs where i get the GaAs.struct from <span
style="font-weight: bold;">[wien2k (examples_structure_files).....</span><br
style="font-weight: bold;">
<br>
But when i click the <span style="font-weight: bold;">x lapw2</span>
from tasks the following warning message occurs are:<br>
<br>
Commandline: <b>x lapw2 -emin -1.0 </b><br>
Program input is: <b>" "</b> <br>
<br>
<div>
<table border="1">
<tbody>
<tr>
<td>
<pre>head: cannot open `GaAs.in2c' for reading: No such file or directory
cp: cannot stat `GaAs.in2c': No such file or
directory
old1: Subscript out of range.
</pre>
</td>
</tr>
</tbody>
</table>
</div>
and the <span style="font-weight: bold;">x lapw5 </span>warning
message occurs are:<br>
<br>
Commandline: <b>x lapw5 </b><br>
Program input is: <b>""</b> <br>
<br>
<pre>I would be grateful if you could tell me What I have to do in this
situation.
thank you very much
Regards,
zira
</pre>
<p> between 0000-00-00 and 9999-99-99
</p>
<pre wrap="">
<hr size="4" width="90%">
_______________________________________________
Wien mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
</pre>
</blockquote>
<br>
</body>
</html>