<html><body><div style="color:#000; background-color:#fff; font-family:bookman old style, new york, times, serif;font-size:14pt"><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span></span><span> Hi,</span></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span>Can some one help explain the meaning of the erro stated below:</span></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> from calbec : error # 1<br> size
mismatch<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...</span></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span>Am trying to relax Fe-structure comprising 32 C and dimers.</span></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span>Thank you</span></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span>Yusuf<br></span></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span><br></span></div><div
style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span><br></span></div><div><br></div> <div style="font-family: bookman old style, new york, times, serif; font-size: 14pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Paolo Giannozzi <giannozz@democritos.it><br> <b><span style="font-weight: bold;">To:</span></b> PWSCF Forum <pw_forum@pwscf.org> <br> <b><span style="font-weight: bold;">Sent:</span></b> Saturday, September 22, 2012 8:00 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Pw_forum] SYMMETRY REFERENCE<br> </font> </div> <br>
<br>On Sep 21, 2012, at 22:41 , Caloma Trumica wrote:<br><br>> I found it is difficult to understand some routine like "set_irr"<br><br>you are not the only one: the implementation of symmetries<br>in the phonon code is rather complex. You do not need to<br>understand everything, though, unless you want to modify<br>the code. Why are you interested in that part of the code?<br><br>><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><a ymailto="mailto:Pw_forum@pwscf.org" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://www.democritos.it/mailman/listinfo/pw_forum<br><br><br> </div> </div> </div></body></html>