[Pw_forum] relax with lelfield

Q.J.Wang wangqj1 at 126.com
Mon Nov 23 04:15:37 CET 2009


Dear pwscf developers
     I want to relax with lelfield ,but in the example31 it said that :"To perform a calculations with an electric field, an estimate of
the optimized wavefunctions is needed to build the electric field
operator." So I want to know whether I should optimize wavefunctions before relax with lelfield or not ?

--

Best regards
 
Q.J.Wang
 
XiangTan University 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091123/fc5af10e/attachment-0001.htm 


More information about the Pw_forum mailing list