[molpro-user] Re: matrix operations
KnowlesPJ at Cardiff.ac.uk
Tue Mar 15 08:40:51 GMT 2005
Please note that in Molpro 2002.6, the density matrix is not available
for QCISD(T), and the result of the suggestion below is in fact just the
QCISD density matrix without the (T) correction!
> Dear Molrpo users!
> The problem sorted, sorry for rather stupid question.
> the line
> instead of
> should be added.
> and the density must be read in from 6000.2 later on.
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