[Pw_forum] semiconducting CNT/metallic CNT

chengyu yang chengyu.young at gmail.com
Fri Aug 27 17:22:48 CEST 2010


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100827/1b9d0c89/attachment.html>


More information about the users mailing list