[gpaw-users] Bader_Analysis

[Jens Jørgen Mortensen]

On 08/26/2018 11:05 PM, Manu Hegde via gpaw-users wrote:
> Hello,
> I was just running the example script on bader analysis, 
> https://wiki.fysik.dtu.dk/gpaw/tutorials/bader/bader.html
>
> It went well and produced .cube as well, but I am unable to create 
> .dat file using
> bader -p all_atom -p atom_index density.cube
> I am getting error saying 'bader' not found!
> Not sure what is happening.

You need to get the "bader" executable.  You should be able to download 
it here:

     http://theory.cm.utexas.edu/henkelman/research/bader/

Jens Jørgen

> Thanks
> Manu
> (SFU, Canada)
>
>
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