Minnesota Functional Module 6.0  (MFM 6.0)

Haoyu S. Yu, Yan Zhao, Roberto Peverati, Xiao He, Ying Wang, Pragya Verma, and Donald G. Truhlar 

Department of Chemistry and Minesota Supercomputing Institute, 
University of Minnesota, Minneapolis, MN 55455-0431, USA


date of MFM 6.0: Feb. 21, 2022

MFM 6.0 description

Minnesota Functional Module is a Fortran77 code for evaluating the the following exchange-correlation functionals for Kohn-Sham density functional theory:


local functionals:

GAM, M06-L, M11-L, MN12-L, MN15-L, N12, revM06-L, revM11, SOGGA, SOGGA11


nonlocal functionals:


global hybrids:

M05, M05-2X, M06, M06-2X, M06-HF, M06CR, M08-HX, M08-SO, M11, MN15, revM11, SOGGA11-X


range-separated hybrids with screened exchange (0% HF exchange at long range):

M06-SX, MN12-SX, N12-SX,


range-separated functional with 1ong-range correction (100% HF exchange at long range):



Funcionals beginning with “M” or “revM” are meta functionals, i.e., they have kinetic energy density as one of the ingredients.


MFM-version 6.0 PDF Manual (Manual Date: Mar. 08, 2022) 

Availability of source code for the CF22D exchange-correlation functional

This code is available at zenodo:

The software may be cited as
Y. Liu, C. Zhang, Z. Liu, D. G. Truhlar, Y. Wang, and X. He, Representative code for CF22D exchange-correlation functional, doi.org/10.5281/zenodo.7306137
The functional may be cited as
Y. Liu, C. Zhang, Z. Liu, D. G. Truhlar, Y. Wang, and X. He, Supervised Learning of a Chemistry Functional with Damped Dispersion, Nature Computational Science, in press.

Links to other pages of interest:

This document last modified on Nov. 13, 2022
Updated by:  Software Manager