[Pw_forum] electronic density

jorge.gallardo at cab.cnea.gov.ar jorge.gallardo at cab.cnea.gov.ar
Fri Nov 21 15:08:37 CET 2008

> (number of electrons in the unit cell) / (volume of the unit cell)
> no need of quantum espresso, not even of a computer
> SB
> On Nov 21, 2008, at 1:34 PM, jorge.gallardo at cab.cnea.gov.ar wrote:

I'm sorry, I was very synthetic in my question before. I did mean:

1) supposing we are using pseudo-potentials (I think pw.x not), the
electron density taking into account only the valence electrons (as is
considered by some [what?] pseudopotential program in quantum espresso).

2) If we are relaxing the crystal structure (from what we don't known but
only an approximation of lattice parameter), there is a way to get the
electron density from the output files?


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