Mulliken populations

Mulliken-type populations are computed and printed at various levels of refinement (ranging from per-basis function to per-fragment type, data for the whole molecule as well as for individual MOs), and in two different representations, one based on the elementary basis functions (bas), the other on SFOs (Symmetrized Fragment Orbitals). This is potentially a very large amount of data. Precisely what is printed by default, and how this can be modified so as to suppress output or, alternatively, to get more information, is regulated by the print keys (print, eprint).

 

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