Hi,
Again, I highly suggest you e-mail the list, since I don't always get to
questions like this quickly.
Avogadro can certainly handle individual atoms, so I'm not entirely sure why
Gaussian is giving you a problem. My guess is that you have not properly set
the charge/spin for these atoms. For example, Cl has 7 valence electrons, so it
is a doublet when charge neutral. Gd (which would require an appropriate basis
set) would have 8 unpaired spins (4f7 5d1) as a neutral atom.
Hope that helps,
-Geoff
On Oct 28, 2012, at 3:14 AM, maryam golbabaee <maryamgolbab...@yahoo.com> wrote:
>
> Hello
> I want to draw an atom in avogadro in order to imput it in gaussian09. For
> "O atom" or "Fe atom" i got the out put file from gaussian. But for instance
> for "Cl atom" or " Gd atom" or " Au atom" or "Ag atom" and ....... Gaussian
> can't run. I want to know does avogadro calcuate or estimate any parametr for
> atoms? not a molecule.
> best regards
> Maryam
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