ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz

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Forum Vet

1:40:39 AM PST - Fri, Jan 12th 2018
I started a new calculation using the similar input to that of tddft_he, which can add 2nd order and 3rd order derivatives for many of the functionals, but it still failed at the second root calculation, and the first one is much more larger.