Maybe you could send input files and a plot of DOS and band structure to help people to figure out what is happening.
If DOS and band structure do not agree with each other, I would not trust to either!!! What do you mean that you repeat the calculation with **different theory** ???? Giovanni > On 16 May 2018, at 13:17, B S Bhushan <ecebhus...@gmail.com> wrote: > > 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 <http://www.bsbhushan.com/> > > > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: giovanni.cant...@spin.cnr.it Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.fisica.unina.it/~cantele
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