Re: [cclib-devel] New attribute vibanharms

[Karol M. L. <kar...@gm...>]

On Mon, Mar 21, 2011 at 09:50:51AM +0000, Noel O'Boyle wrote:
> Hi all,
> 
> Following an email by John Simmie to CCL.net, I've added support to
> extract the  "X matrix of Anharmonic Constants (cm-1)" from a
> FREQ=ANHARM job in Gaussian. I'm not quite sure what to call it, but
> for the moment it's "vibanharms". I think there are also anharmonic
> frequencies, so maybe it should instead be "vibanharmconsts".
> 
> - Noel

Hi,

 Isn't the frequency used in the anharmonic term the same as the harmonic?

 Anyway, I would propose vibaconst.
 
- Karol

-- 
written by Karol M. Langner
Mon Mar 21 10:53:49 CET 2011