STM + GAPW

[Marcella Iannuzzi]

Hi Matt,

I think it makes sense to use only the soft density to calculate STM images.

cheers 
Marcella


On Tuesday, July 5, 2016 at 12:53:06 PM UTC+2, Matt W wrote:
>
> Hi everyone,
>
> I'm trying to generate STM images with GAPW enabled - it dies with a 
> CP_ASSERT in qs_collocate_density (line 1629). Trivial test case attached.
>
> I think for STM it should be safe just to use the soft density and make 
> the call at to calculate_rho_elec in stm_images (line 371) with the 
> soft_valid argument set to true in the GAPW case ... but I'm a little wary 
> of hacking GAPW stuff.
>
> What do you think?
>
> Matt
>
>
>
>
>
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