[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://lists.quantum-espresso.org/pipermail/users/attachments/20091123/fc5af10e/attachment.html>
More information about the users
mailing list