[Pw_forum] About nelec and tot_charge again

Paolo Giannozzi giannozz at nest.sns.it
Mon May 19 11:30:20 CEST 2008


陳 少華 wrote:

> I heard there is a method call "Rigid Band
> Approximation"(RBA). In order to shift Fermi level to
> conduction band or valence band in semiconductor, does
> it make sense just set "nelec" parameter only ?

it does (in the limits of the RBA, of course)

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


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