[QE-users] Band Structure and DOS contradiction in doped graphene

B S Bhushan ecebhushan at gmail.com
Mon May 21 08:39:14 CEST 2018

 Dear Experts,

I am analyzing doped graphene using pbe functional.
Where, I end up having contradictory DOS and Band structure.

The Band structure shows a small band gap at the fermi level, however, the
DOS shows few states on the fermi level.

What should I call the system in such cases, *metallic *or* semi-metallic *
or* semi-conducting *???

or have I done something wrong ???

The link below contains the figures and input scripts used by me.

Please suggest.

B S Bhushan,
Ph.D Scholar,
ABV- Indian Institute of Information Technology and Management, Gwalior.
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