[gpaw-users] lcao basis set generation

[Jens Jørgen Mortensen]

On Thu, 2010-04-22 at 14:46 +0200, Michael F. Peintinger wrote:
> Dear all,
> 
> must a basis set be generated for each functional?
> 
> or can I use a basis that was created with PBE also with PW91?

That should work fine.

Actually, there is a new tar-file with setups here:

  https://wiki.fysik.dtu.dk/gpaw/setups/setups.html

which now contains dzp basis functions for all elements.  So you could
try to use those with basis='dzp'.  You can also use just the szp part
with basis='szp(dzp)'.  This is almost completely untested, so be
careful!

JJ