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Prof. Giannozzi,<BR>
<BR>
Thanks very much for your reply. I just repeated the calculations and it worked quite well.<BR>
<BR>
Regards<BR>
<BR>
Elie Moujaes<BR>
University of Nottingham<BR>
NG7 2RD<BR>
UK<BR> <BR>
> From: giannozz@democritos.it<BR>> Date: Fri, 4 Feb 2011 22:14:33 +0100<BR>> To: pw_forum@pwscf.org<BR>> Subject: Re: [Pw_forum] problems with q2r.x executable<BR>> <BR>> <BR>> On Feb 4, 2011, at 14:38 , Elie Moujaes wrote:<BR>> <BR>> > the first three which should be .51, .52 and .53 files<BR>> > are all produced with the same name a2Fq2r and they<BR>> > appear as WORD files whilst the others are ok.<BR>> <BR>> you need to go into the code where it opens those files<BR>> and see what happens. There is no way anybody else<BR>> can find an explanation for such an unlikely event without<BR>> looking more closely.<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>> <BR>> <BR>> <BR>> <BR>> _______________________________________________<BR>> Pw_forum mailing list<BR>> Pw_forum@pwscf.org<BR>> http://www.democritos.it/mailman/listinfo/pw_forum<BR> </body>
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