[gpaw-users] ghost atoms and LCAO

[Glen Jenness]

Dear users,
I'm getting a rather strange error with trying to specify ghost atoms with
LCAO, namely I keep getting:

 RuntimeError: Could not find required basis set file "Si.ghost.dzp.basis".

I'm following the directions on
https://wiki.fysik.dtu.dk/gpaw/documentation/lcao/lcao.html, and my
calculator object looks like:

calc = GPAW(setups={'Si':  'ghost'}, mode='lcao', basis='dzp',
kpts=(1,1,1), xc='PBE', txt='output.txt',
            mixer=mix, occupations=occ, convergence=conv, maxiter=500
           )

Am I missing something?  Did the method to specify ghost atoms change and
the website isn't up to date?

Any insight would be useful!

Glen
-- 
Dr. Glen Jenness
Catalysis Center for Energy Innovation (CCEI)
University of Delaware
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20160302/1ffa0397/attachment.html>