wangbw wrote:
> Hi there,
>
> I downloaded the program mayer1.0.7 and it worked well with ADF2003.2, thank you very much for that. Now I want to use hybrid DFT method to calculate mayer bond index too, could you give some infomation about the original the program interface with Gaussian98 or Gaussian2003?
>

Read my previous post concerning the use of NBO. It works in just the
same way for Gaussian. Gaussian 98 has a primitive version of NBO which
is 3.1, possibly they've upgraded it in G03. The .exe link is L607.

Naturally just refer to NBO in the main job section like so:

# Pop=nboread

and at the end of your gaussian job file insert the nbo cards.

Sorry for the off-topic discussion. I'm sure allusions to other software
 are permissible even if they're just for the sake of comparison ;-)

-- 
Nuno A. G. Bandeira -
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