Dear Prof. Giannozzi,<br><br>I mean that I have no idea about the error methioned above. I do not the reason for it . Thank you.<br><br><br><div class="gmail_quote">On 26 April 2011 21:16, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div class="im"><br>
On Apr 26, 2011, at 12:49 , WANG Wei wrote:<br>
<br>
> I have no idea about calculating NEB with QE 4.3.<br>
<br>
</div>so why are you using NEB if you have "no idea"?<br>
<div class="im"><br>
> I used the following commands to perform NEB calculations, but<br>
> error occurred<br>
><br>
> ~/bin/neb.x <<a href="http://neb.in" target="_blank">neb.in</a>> log.neb<br>
<br>
</div>you cannot use this syntax any longer:<br>
<a href="http://www.quantum-espresso.org/user_guide/node29.html" target="_blank">http://www.quantum-espresso.org/user_guide/node29.html</a><br>
Use "~/bin/neb.x -inp <a href="http://neb.in" target="_blank">neb.in</a>"<br>
<br>
P.<br>
---<br>
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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</blockquote></div><br><br clear="all"><br>-- <br><font face="Courier New">+---------------------------------------------------------+<br>Vei WANG <br>Kawazoe's Lab <br>
Institute for Materials Research (IMR), <br>Tohoku University2-1-1 Katahira, Aoba-ku, Sendai, Japan <br>Phone: +81-022-215-2057 <br>Fax: +81-022-215-2052 <br>
+---------------------------------------------------------+</font><br>