[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
*********************************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20100602/286ed740/attachment.html>


More information about the Molpro-user mailing list