[molpro-user] Error when calculating couplings

Rana Zahdeh ranazahdeh at hotmail.com
Wed Mar 30 08:03:30 BST 2011



Dear Molpro users, 
I am running molpro 2008. I want to calculate the couplings (using: ci, noexce)
I have faced an error message saying:
 

TOO MANY ACTIVE ORBITALS: 33 THIS VERSION ALLOWS 32
 
Any workouts around this problem? how can I have the couplings calculated for active space of 
occ, 40

closed, 32
in molpro 2010?

my input file is attached to this email. 
 
Thanks in advance.
Rana.

 		 	   		  
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