Hello everyone, I want to do finite homogeneous electric field calcultion , but I don't know the parameter "nberrycyc" meaning, I wonder if increasing the nberrycyc' value can get better convergence for electronic SCF iteration. From my past experience , it hard to get fast convergence for electronic SCF iteration in finite homogeneous electric field calcultion , if there are some other method can solve this problem? thanks very much for any help. Best Hongwei -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130413/625cde5d/attachment.html
