PC GAMESS/Firefly-related discussion club

Learn how to ask questions correctly

Alex Granovsky
gran@classic.chem.msu.su

thanks for your suggestions.

On Tue Oct 6 '09 10:41am, ganymede wrote
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>Dear Firefly Developers:

> I have some features requestions:
>First: Is there a plan to make Firefly to support the Golden coupled-cluster like methods,like CCSD(T) calculations.

It's hard to say definitely... it seems our typical users
are mainly interested in DFT, not CC... I personally do not see
any challenge here... the implementation would be rather
straightforward but very tedious... and this does not sound
too attractive.

>Second: Will be Firefly more directly account Relativistic effects for heavy element, through the famous DKH and ZORA approximations?

No there are no such plans now...

regards,
Alex Granovsky