Generalized Kohn-Sham and MGGA from OEP
Description
Introducing a new run method, generalized Kohn-Sham, for running hybrid functionals and MGGAs. This replace the Hartree-Fock mode for the hybrid functionals.
The MGGA can now be treated using the OEP framework, simply adding TheoryLevel = kohn_sham
to the input file.
News snippet
Introducing a new run method, generalized Kohn-Sham, for running hybrid functionals and MGGAs. The MGGA can now be treated using the OEP framework.
Checklist
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I have checked that my code follows the Octopus coding standards -
I have added tests for all the new features added in this request.
Edited by Nicolas Tancogne-Dejean