[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
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