[Pw_forum] question regarding nbnd option

[B S Bhushan]

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.
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