[Pw_forum] Question on charge density plot

[Subhradip Ghosh]

Dear Paolo,

Thank you very much. Yes, I understand the thing now. I was
initially confused at seeing 'rhoG' being computed in the
subroutine 'plot2d'.

Thanks for your help.

Subhradip

---- Original message ----
>Date: Tue, 27 Jul 2004 08:46:10 +0200 (CEST)
>From: Paolo Giannozzi <giannozz at nest.sns.it>  
>Subject: Re: [Pw_forum] Question on charge density plot  
>To: pw_forum at pwscf.org
>
>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.
>
>Paolo
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*******************************************************************
                      Subhradip Ghosh
                   Post doctoral Fellow
                   Department of Materials Science & Engineering
                   University of Illinois at Urbana-Champaign
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