[gpaw-users] Ghost atoms in fd mode?

[Ask Hjorth Larsen]

Hi Kristen

2012/7/10 Kristen Kaasbjerg <kkaa at fysik.dtu.dk>:
> Thanks for you help Ask, I think I have the information I was looking for now.
> Another thing, would it be fair to request that ghost atoms should be marked by
> e.g. an asterisk in the printed atom list in the output file?
>
> Kristen

The relevant code is in gpaw/output.py in the plot(atoms) function.
It should be possible to insert something which checks, for each atom,
whether the corresponding setup is of type 'ghost' (something like
calc.wfs.setups[a].type == 'ghost') and then put an asterisk.

Regards
Ask