What version are you using? It sounds like there is something wrong with the web interface, or (by default) it is running pairhess. Ignore the error and just run a scf convergence iteration.<br><br><div class="gmail_quote">
2011/4/17 SANJAY KUMAR SINGH <span dir="ltr"><<a href="mailto:sanjayfizix@gmail.com">sanjayfizix@gmail.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<pre></pre>Respected Prof. Laurence Marks and all Wien2k users,<br><br>First of all thank you so much for reply. Sir, We are not doing a minimization for a structure.<br>We were just initialising calculation for band structure calculation on our server yesterday . <br>
When we clicked on button x dstart then following error found<br>
<p style="margin-bottom:0.2in">Commandline: <b>x dstart </b><br>Program
input is: <b>""</b>
</p>
<table border="1" cellpadding="2" cellspacing="1" width="492">
<colgroup><col width="484">
</colgroup><tbody><tr>
<td width="484">
<p style="margin-bottom:0in"> <font face="Nimbus Mono L, Courier New, monospace"><font size="2">-1</font></font></p>
<p style="margin-bottom:0in"><font face="Nimbus Mono L, Courier New, monospace"><font size="2">Error,
structure does not appear to have variable positions!</font></font></p>
<p style="margin-bottom:0in"><font face="Nimbus Mono L, Courier New, monospace"><font size="2">PairHess
- Error. Check file pairhess.error.</font></font></p>
<p style="margin-bottom:0in"><font face="Nimbus Mono L, Courier New, monospace"><font size="2">0.002u
0.002s 0:00.00 0.0% 0+0k 0+0io 0pf+0w</font></font></p>
<p><br>
</p>
</td>
</tr>
</tbody></table><br>Sir, May I request you to kindly give any idea on this error. <br>How can I resolve this error. I will be very grateful to you. I am waiting for your reply.<br><br>With kind Regards and Thanks,<br> <br>
<span style="color:rgb(204, 0, 0)"><i><font face="arial black,sans-serif">SANJAY KUMAR SINGH</font></i></span>
<div><font color="#3333ff">JRF (DST), NEW DELHI<br><span style="color:rgb(51, 51, 255)">CONDENSED MATTER THEORY GROUP</span><br style="color:rgb(51, 51, 255)"><span style="color:rgb(0, 102, 0)">SCHOOL OF STUDIES IN PHYSICS</span><br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Laurence Marks<br>Department of Materials Science and Engineering<br>MSE Rm 2036 Cook Hall<br>2220 N Campus Drive<br>Northwestern University<br>Evanston, IL 60208, USA<br>
Tel: (847) 491-3996 Fax: (847) 491-7820<br>email: L-marks at northwestern dot edu<br>Web: <a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><br>Chair, Commission on Electron Crystallography of IUCR<br>
<a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu/</a><br>Research is to see what everybody else has seen, and to think what nobody else has thought<br>Albert Szent-Gyorgi<br>