[molpro-user] Using diabatic states (ddr) for further calculations.

Sve N goretoffel at hotmail.de
Tue Sep 20 15:35:29 BST 2011

Dear Molpro Users,
is it possible to use quasi-diabatic states, generated by the DDR-routine, in a further CI-Calculation?
I thought about transforming the CI-Vectors via UMAT, but neither can I find a way to load and manipulate them via matrop, nor do I know, how I would get molpro to use them, if I printed them out and transformed them externally.
Thanks for any help in advance, Sven
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