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Victor
Tue 07:27
How to print CI Coefficients: Configuration in CASSCF G16 calculations?
For example, in the for as below:
CI Coefficients:
Configuration Symmetry Label Coefficient Weight
1 1 1100 0.7890 0.6225
2 1 aabb 0.5148 0.2650
3 1 1ab0 0.1111 0.0123
...
