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Error in dmrginit.py with high symmetry
Dear developers,
As the title suggests. When I try to use the dmrginit.py
tool on a molecule with a high degree of symmetry (D2h) an error occurs right at the end of the execution. Specifically, the det2mps_su2u1pg
executable crashes.
Are you aware of this problem or do you thinks this might be a problem in my input?
Thanks in advance for any answer.
Best,
Ivan Giannì