[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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