[ase-users] choosing non-standard (_sv) VASP pseudopotentials with ASE

[Glen Jenness]

Martin
You can access these through the setups dictionary, i.e.

calc = VASP(setups={'Rh': '_sv"}....)

Glen


On Wed, May 14, 2014 at 2:43 PM, Martin Rahm <martinr at kth.se> wrote:

> Dear asers,
>
> I have not been able to find a way in which ASE sets up VASP input files
> for use with non-standard pseudopotentials. I will routinely need the "_sv"
> ones, having started to enjoy ASE, It'd be a shame to go back to manually
> copying things around.
>
> It seems like the external "jasp" package might offer this functionality,
> but could anyone offer a quick code suggestion for doing it with native
> ASE?
>
> Many thanks,
> Martin
>
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-- 
Dr. Glen Jenness
Catalysis Center for Energy Innovation (CCEI)
University of Delaware
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