Hi, you may perform the charge calculation and look insight. thanks sanjeev
On Tue, Nov 25, 2014 at 5:17 AM, Barnali Bhattacharya < [email protected]> wrote: > 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 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- With Best Regards, ------------------------------------ Dr. Sanjeev Kumar Gupta Fulbright Post-Doctoral Scholar Dept. of Physics Michigan Technological University 1400 Townsend Drive, Houghton MI 49931, USA ------------------------------------
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