Dear Chengyu: For semiconductor, the degauss should be zero. That means the occupancy is 1.
On Fri, Aug 27, 2010 at 10:53 PM, chengyu yang <chengyu.young at gmail.com>wrote: > Dear all, > I have calculated the charge density for CNT/Cu system, and now my > advisor told me the carbon nanotube I used is metallic one, and he needs to > calculate a semiconductor CNT. > I know I should change either the smearing part or the degauss value, but I > don't know how to change it. Can someone teach me how and why? I really > appreciate it. > Best regards. > > Chengyu > > ____________________________________ Hui Wang School of physics, Nankai University, Tianjin, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100827/a691913c/attachment.htm
