<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix">Hello wasim,<br>
<br>
There's a patch that resolves this error. I can't immediately find
it in the archives so I'll attach it. I'm not certain if there are
any more elegant solutions remaining, if not then you'll have to
add the patch and recompile.<br>
<br>
<br>
Regards,<br>
<br>
Michael Sluydts<br>
<br>
<br>
Op 14/06/2013 13:57, wasim raja Mondal schreef:<br>
</div>
<blockquote
cite="mid:CAGfip2WgMmDuR2bAB50=O6PqaoZtAPCgEQ_jKj7=v3U3wM6xmQ@mail.gmail.com"
type="cite">
<div dir="ltr">
<div>
<div>
<div>
<div>
<div>
<div>Dear wien2k experts,<br>
</div>
<div><br>
I am running one peroskite structure. Initially I
was facing dtsrt error. But with the help from
Lyudmila I have solved the problem and there is no
error in the initialization process. But when I am
running scf I am getting the following error: <br>
<div class="">
<div class="">
<table class="" cellpadding="0">
<tbody>
<tr class="">
<td class="">
<table class="" cellpadding="0">
<tbody>
<tr>
<td><br>
</td>
</tr>
</tbody>
</table>
</td>
</tr>
</tbody>
</table>
</div>
</div>
</div>
<div>Error in LAPW1<br>
'LOPW' - Plane waves exhausted<br>
<br>
</div>
<br>
The possible reason for the this error is:<br>
<br>
</div>
(1) Increase the RK max value<br>
<br>
</div>
(2) see the precession for the atomic position which is
sensitive for space group 194. For example <br>
</div>
0.33367 should be o.33366667 <br>
<br>
</div>
(3) change lo+apw.<br>
<br>
</div>
possibility 1 and 2 I have done. For (1) I have set rk value up
to 9.5 and for (2) I have carefully checked. But I am getting
same error. For the third I have not checked because I donot
know how to do this. I am using wien2k_12. I am attaching the
structure file and *.rsp file.<br>
<div><br>
</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
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>
SEARCH the MAILING-LIST at: <a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a>
</pre>
</blockquote>
<br>
</body>
</html>