Thank you for the answer GS and Lorenzo. I am using 10 occupations per line in the occupations card as you suggested and It is not giving any error now. <br><br><div class="gmail_quote">On Tue, Oct 6, 2009 at 6:18 PM, Lorenzo Paulatto <span dir="ltr"><<a href="mailto:paulatto@sissa.it">paulatto@sissa.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">In data 06 ottobre 2009 alle ore 11:34:33, udayagiri sai babu<br>
<<a href="mailto:udayagiri3@gmail.com">udayagiri3@gmail.com</a>> ha scritto:<br>
<div class="im">> I got an error saying *"strange occupations:number of electrons from<br>
> occupations is wrong"*. I undestood like my occupation card is not<br>
> matching with my "nbnd" value but i could not correct it can somebody<br>
> give me some<br>
> suggestion.<br>
<br>
</div>In QE versions 4.0.x and before the occupations you had to specify at most<br>
ten occupations per line, you input would work this way:<br>
<div class="im"><br>
OCCUPATIONS<br>
1 1 1 1 1 1 1 1 1 1<br>
0 0 0<br>
1 1 1 1 0 0 0 0 0 0<br>
0 0 0<br>
<br>
</div>QE 4.1 and newer do not have this limitation.<br>
<br>
best regards<br>
<br>
<br>
<br>
--<br>
Lorenzo Paulatto<br>
SISSA & DEMOCRITOS (Trieste)<br>
<div class="im">phone: +39 040 3787 511<br>
</div>skype: paulatz<br>
www: <a href="http://people.sissa.it/%7Epaulatto/" target="_blank">http://people.sissa.it/~paulatto/</a><br>
<br>
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