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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
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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.