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Re^7: WTBS + 6-311G mixed basis set

Alex Granovsky


there was a bug in Firefly causing this error,
which has been fixed recently. If you need updated version,
please contact me directly.

Alex Granovsky

On Mon May 24 '10 9:27am, Vyacheslav wrote
>I've applied input, output and wfn files for run with ANO-RCC (NaF). In AIMAll I've got

>Invalid traditional wfn file! Normalization check failed.
>Could be due to orientation inconsistency.

>         Vyacheslav

>On Sat May 22 '10 1:58pm, Alex Granovsky wrote

>>could you please post input and output files here?
>>Perhaps, the numbering scheme of F and G functions differs
>>between FF and AIMAll.

>>Alex Granovsky
>>On Fri May 21 '10 6:25pm, Vyacheslav wrote
>>I can add, that the same is for basis set ANO-RCC (even for NaF)


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