next up previous contents index
Next: Generic functionals Up: Main input groups in Previous: *DFT INPUT   Contents   Index


DFT functionals

Functionals in DALTONBE DIVIDED INTO TWO GROUPS: GENERIC AND COMBINED FUNCTIONALS. COMBINED FUNCTIONALS ARE A LINEAR COMBINATION OF GENERIC ONES. ONE CAN ALWAYS CREATE OWN COMBINED FUNCTIONALS BY USING GGAKey GENERAL FUNCTIONAL.



Subsections

Dalton Manual - Release 1.2.1