Interface to the DFT program deMon (academic license free of charge). DeMon uses advanced density fitting techniques enabling very efficient calculations.

The interface supports also the development version of deMon implementing constrained DFT (cDFT) methodology.

Warning

The default auxiliary basis for density fitting in deMon is rather small. To achieve absolute energies comparable with other DFT programs, it must be increased to GEN-A3* or better.