Dear Bhushan, It refers to valance electrons here.
Cheers On Wed, Nov 1, 2017 at 10:54 AM, B S Bhushan <ecebhus...@gmail.com> wrote: > Dear experts, > > In the manual it was given as, > *Default:* for an insulator, nbnd > <http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#nbnd> = > number of valence bands (nbnd > <http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#nbnd> > =* # of electrons* /2); > for a metal, 20% more (minimum 4 more) > > My doubt here is, doest the *# of electrons* refer to valance electrons > or the total number of electrons (core+valance) in the structure ?? > > > Thank you very much. > > > Sincerely, > > B. S. Bhushan > Ph.D scholar, > ABV-IIITM, Gwalior, India. > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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