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automated_construction_of_atomic_valence_active_spaces [2023/08/30 11:13] – [AVAS as independent program] wernerautomated_construction_of_atomic_valence_active_spaces [2023/08/30 19:58] (current) – may
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 Example for a double d-shell CASSCF for the Cu-atom: Example for a double d-shell CASSCF for the Cu-atom:
  
-<code>+<code - examples/cu_avas.inp>
  print,orbitals,civector  print,orbitals,civector
  geometry={Cu}  geometry={Cu}