[Pw_forum] semiconducting CNT/metallic CNT
chengyu.young at gmail.com
Fri Aug 27 17:22:48 CEST 2010
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
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