[molpro-user] NBO with CC density

Jose A. Gamez joseantonio.gamez at uam.es
Tue Feb 9 14:26:02 GMT 2010

Dear all,

Thank you for your replies, they've been quite helpful. However, I'm using 
uccsd(t) calculations since I work with radicals, and if I understood 
correctly, in MOLPRO i cannot save the density matrix of ump2, uccsd or 
uccsd(t), am I right? Any suggestion to work around this problem?


Jose A. Gamez

Departamento de Química, C-13
Universidad Autonoma de Madrid
Cantoblanco, 28049-Madrid. Spain
Phone: +34-91-497-3854
FAX: +34-91-497-5238

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