In the ASCI examples 6.48 and 6.49 given in the manual for ver. 6.0, symmetry was switched of. Will symmetry work? 1 post - 1 participant Read full topic
Transcript for
Jan19
Jan '2322
Jan23
Q-Chem
For discussion about the Q-Chem software.
ab-initio-calculations computational-chemistry coupled-cluster excited-states q-chem quantum-chemistry software software-assistance software-comparison software-recommendations
