<div dir="ltr">On Wed, Sep 3, 2008 at 12:30 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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On Sep 3, 2008, at 10:48 , Munima Bora Sahariah wrote:<br>
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>> from phq_init : error # 1<br>
>> wrong order of k points<br>
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you either did not perform the intermediate non-scf calculation<br>
needed for q/=0 (old QE versions), or you did not specify the<br>
option lnscf=.true. to phonon (new QE versions)<br>
</blockquote></div><br clear="all">q-vector in non-scf and phonon calculations are not the same might be <br>another possibility.<br>Viet<br>-- <br>Mr. Viet Huy Nguyen <br>PhD student, Condensed Matter Theory Sector<br>SISSA/ISAS Via Beirut 2-4, 34014, Trieste, Italy<br>
Tel: +39 040 3787 492 Fax: +39 040 3787 528 <br>Email: <a href="mailto:nhviet@sissa.it">nhviet@sissa.it</a> <a href="mailto:hviet.nguyen@gmail.com">hviet.nguyen@gmail.com</a><br>
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