Minnesota Functionals in CRYSTAL program

CRYSTAL is a general-purpose program for the study of crystalline solids, and the first which has been distributed publicly.

The local GGA functional SOGGA is officially available in CRYSTAL09.

The hybrid meta-GGA functional M06 has been implemented in CRYSTAL09 as described in this paper. Further questions regarding implementation and usage of M06 in CRYSTAL09 should be directed to the authors.

In CRYSTAL14, the Minnesota local and hybrid functionals that have been included are M05, M05-2X, M06-L, M06-2X, and M06-HF.

The locally modified version of CRYSTAL14 at University of Minnesota also includes NGA, meta-NGA, and global hybrid meta-NGA such as GAM, MN15-L, and MN15, respectively.

For more information regarding use of CRYSTAL, please refer to the CRYSTAL Homepage

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