[Pw_forum] Question on charge density plot
giannozz at nest.sns.it
Tue Jul 27 08:46:10 CEST 2004
On Mon, 26 Jul 2004, Subhradip Ghosh wrote:
> I understand is that using chdens we only get rho in G-space
> and plotrho draws the contours of rho(G)
not really: chdens produces rho(r) in the selected region of space
and plotrho draws contours of rho(r)
> Also, what units are these charge densities?
1/(Bohr radii)^3 : the charge density yields the number of electrons
(not the total charge) when integrated over the unit cell.
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