Thank you so much Dr. chen. On Wed, Nov 1, 2017 at 9:34 PM, Jia Chen <[email protected]> wrote:
> Dear Bhushan, > > It refers to valance electrons here. > > Cheers > > On Wed, Nov 1, 2017 at 10:54 AM, B S Bhushan <[email protected]> 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 >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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