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Generalized Kohn-Sham and MGGA from OEP

Nicolas Tancogne-Dejean requested to merge generalized_kohn-sham into develop

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

  • 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

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