[molpro-user] Re: matrix operations
AST
pcxast at nottingham.ac.uk
Sat Mar 12 03:13:25 GMT 2005
Dear Molrpo users!
The problem sorted, sorry for rather stupid question.
the line
qcisd(t);dm,6000.2
instead of
qcisd(t)
should be added.
and the density must be read in from 6000.2 later on.
Thanks,
Akyl.
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