XC functionals

The asymptotically correct GRAC and SAOP xc potentials have become available. They tend to give improved results over LB94 and BP for response property calculations. For the energy xc functional, many modern (meta)GGA functionals have been implemented in a post-SCF fashion. They can all be printed simultaneously. Their accuracy improves significantly on traditional GGAs for the standard G2 test set.

 

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