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Re^3: Truhlar's Functionals M06 and M06-HF?

Alex Granovsky
gran@classic.chem.msu.su

Hi Jim,

>Isn't it because they are KE functionals that they are not (yet) implemented?

yes the tau-dependent functionals are not implemented in Firefly.

regards,
Alex

>On Sun Jun 20 '10 10:40pm, Alex Granovsky wrote
>-----------------------------------------------
>>Hi,

>>no, they are not available.

>>Regards,
>>Alex Granovsky

>>On Sun Jun 20 '10 2:16pm, Miro Moman wrote
>>------------------------------------------
>>>Are functionals M06 and/or M06-HF available in Firefly (7.1G)? If the answer is affirmative, which keywords should I use?

>>>Best regards,

>>>Miro
>>>

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