Hi, Can some one help explain the meaning of the erro stated below: ?%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% ???? from calbec : error #???????? 1 ???? size mismatch ?%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
???? stopping ... Am trying to relax Fe-structure comprising 32 C and dimers. Thank you Yusuf ________________________________ From: Paolo Giannozzi <giannozz at democritos.it> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Saturday, September 22, 2012 8:00 PM Subject: Re: [Pw_forum] SYMMETRY REFERENCE On Sep 21, 2012, at 22:41 , Caloma Trumica wrote: > I found it is difficult to understand some routine like "set_irr" you are not the only one: the implementation of symmetries in the phonon code is rather complex. You do not need to understand everything, though, unless you want to modify the code. Why are you interested in that part of the code? > P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120926/eeda082c/attachment.htm
