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

Martin Rahm martinr at kth.se
Wed May 14 20:43:13 CEST 2014


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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