[QE-users] Band Structure and DOS contradiction

[B S Bhushan]

 Dear Experts,

I am analyzing defected graphene with different dopants.
In very few cases... 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 states on the fermi level.
Same result appears even if the calculation is repeated with different
theory.
In such cases, Should I depend on the Band structure or the DOS.
What should I call the system, *metallic *or* semi-metallic *or*
semi-conducting *???

Please suggest.


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