[Pw_forum] Bonding nature Na-C

Barnali Bhattacharya barnalidgbhatt at gmail.com
Tue Nov 25 14:17:50 CET 2014


Dear  QE user,

I am doing some calculation with sodium absorbed graphene. I want to see
 whether the Na-C bond is more metallic or more covalent. Using QE how can
I do it?

Could anybody please guide me?

Sincerely

Barnali  Bhattacharya
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141125/cd5b7a6f/attachment.html>


More information about the users mailing list