[molpro-user] reorder MOs

Shireen Falah shireen.alfalah at yahoo.com
Mon Apr 9 17:56:28 BST 2007


Dear Molpro users, 

Excuse me if you think my question is trivial. I want to reorder RHF orbitals so as to use them as an initial guess for MCSCF calculations. I wonder if this can be done using Molpro? I could not figure out how to do it. 

Any help or hints please? 

Thanks in advance. 

Best regards, 
Sherin Alfalah

 
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