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Re^2: WTBS + 6-311G mixed basis set

Anton Cherkasov

I attach to this message wfn-file in zip archive.

> Could it be the reason of incompatibility?

Unfortunately, now I can not exactly answer this question, but I think that yes.

Anton Cherkasov

On Fri Apr 30 '10 6:33pm, Alex Granovsky wrote

>could you please attach the wfn file for inspection?
>The exact format Firefly uses for wfn file slightly differs
>depending on the number of AOs, MOs etc...; �specifically,
>if the numbers cannot be represented as integers using traditional
>wfn-style formatted fields, it tries to extend these fields to
>use more digits. Could it be the reason of incompatibility?
>Anyway, I'd be glad to know what is the format of
>"non-traditional wfn" file for this package.

>Alex Granovsky

This message contains the 15574 kb attachment
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