[molpro-user] Lagrangian multipliers in CC code

ro cha crystalinflame at hotmail.com
Sun Apr 27 18:52:24 BST 2014


Dear Molpro developers and users,
 
I need to extract the Lagrangian multipliers of the CC code to 
further post-process the relaxed densities using a back-end program 
developed in our research group. However, I have not found any reference
 in the user's manual on this regard. Does anyone know how to get MOLPRO to print out the lagrangian multipliers?  

Thanks in advance.

Rodrigo Chávez Calvillo
Facultad de Química, UNAM
 		 	   		  
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