[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 
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