Dear developers, Firstly, I would like to thank all developers' hard work which makes my current work possible. Then I would like to write down my wish about cp code. I hope cp can recover the implementation of empty states, or implement the occupation method. I know we can do that by nscf calculations in pwscf, but It would be really nice that this feather is in cp. I could do that in earlier version, but it is beyond my capability in 4.2.1. I simply hope I can get someone's attention. Really appreciate it.
Best Wishes -- Jia Chen -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110217/832aea26/attachment.htm