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Re^2: SCF problems

Pedro Silva
pedros@ufp.edu.pt


Symmetry is C1..
The input follows as attachment. I have tried changing convergers to SOSCF , disabling DIIS, changing ICUT/ITOL, FDIFF=.f. or FDIFF=.t. (always without success)

This message contains the 2211 kb attachment
[ SCF_problem_case_input_Pedro_Silva.zip ] My problematic input..


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