[Pw_forum] relax issue

Yusuf Zuntu yzunt at yahoo.com
Wed Sep 26 11:32:42 CEST 2012

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

 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?


Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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