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Nicolas Tancogne-Dejean authored
Fix the calculation of MGGA in the Kohn-Sham framework. Before the fix, the code was not solving the OEP equation and was simply not adding the nonlocal term of the MGGA to the Hamiltonian.
7961e952
Fix the calculation of MGGA in the Kohn-Sham framework. Before the fix, the code was not solving the OEP equation and was simply not adding the nonlocal term of the MGGA to the Hamiltonian.