MOLCAS

The M06 family (M06-L, M06, M06-HF, and M06-2X) was added to MOLCAS by Roland Lindh and is available in version 7.4, which was released on June 2, 2009. The functionals in the M06 family have all been implemented with analytic gradients and can also be used for energy calculations with RI.

Soon there will be analytic RI-DFT gradients to for hybrid functionals.

Version 7.6 of MOLCAS might be released in spring 2010.

The MOLCAS Home Page

The Version 7.4 Announcement


Note that there was a MOLCAS workshop at the University of Minnesota in May 2009: http://www.ima.umn.edu/2008-2009/SW5.4-8.09/



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