[gpaw-users] Density objects
Jussi Enkovaara
jussi.enkovaara at aalto.fi
Mon Jun 17 09:56:11 CEST 2013
On 2013-06-17 10:34, manana koberidze wrote:
> Dear all,
>
> I'm a bit confused with density objects in GPAW. The documentation says:
>
> nt_sG Electron density on the coarse grid. nt_sg Electron density on the
> fine grid. nt_g Electron density on the fine grid.
>
> I wondered which one is equivalent to calc.get_pseudo_density() if there is
> any.
>
> I'd also like to ask if I could calculate calc.get_pseudo_density() on fine
> grid.
Hi,
calc.get_pseudo_density() gives you nt_sG (on coarse grid),
and calc.get_pseudo_density(gridrefinement=2) gives nt_sg (on fine grid).
Best regards,
Jussi
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