[Pw_forum] Tow question about band gap and occupations= 'smearing or fixed
sufyan
sufeer03 at gmail.com
Wed Mar 28 11:25:36 CEST 2012
Dear quantum espresso user, i study a case with different constrain and
under some constrain this case changes from conductor to semiconductor and
vers-versa and I have a question firstly about "occupations= 'smearing
or fixed '" what can i do with it ? secondly Does the pw.x give the band
gap as numerical results in the out file ? thanks sufyan naji
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120328/495310a0/attachment.html>
More information about the users
mailing list