[molpro-user] how to print mcscf molecular orbitals
Elizete Ventura do Monte
elizete at quimica.ufpb.br
Wed Jun 2 14:05:53 BST 2010
Dear molpro users,
I would like to know how does one can print the mcscf molecular
orbitals (not natural orbitals !) in the output of a mcscf calculation. If I include the line
'print, orbital' it prints the natural orbitals.
Any help is welcome!
Elizete
Ventura
**********************************************
Elizete Ventura do
Monte
Laboratório de Química Quântica Computacional
Departamento de
Química
Universidade Federal da Paraíba
*********************************************
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