Specify p-space configs in rs2

[Falcetta_Michael]

Hello,

Is it possible to specify that the rs2 module include certain p-space
configurations (i.e., explicitly input the csf's)?  The molpro
documentation for the CI program indicates this may be possible, but I
don't understand how to do it.  Here is what the manual says under
specifying the p-space configurations:

	Further configurations are added if either required by select or
if configurations are found which are degenerate to the last p-space
configuration. A minimum number of npspace is automatically determined
from the state specifications. 
	How do I use select to define the p-space????  (it seems to be
used to define the reference space)
I have tried using npspace up to 90, but it is not finding the p-space
configurations I need to converge the particular root.  The details are
not important (I think) becuase I know that the root I want is there and
I can converge it if I choose several roots in the rs2, but that leads
to other complications -- so I want to tell the program to include in
the p-space a few configurations which are prety high in energy, but are
very important for the particular root I need (this is a highly excited,
charge-transfer state, so there are many lower energy configurations in
the reference space which essentially describe the charge distribution
of the NON charge-transfer ground and excited states.

Thanks in advance for your input

Mike 




Dr. Mike Falcetta

Associate Professor of Chemistry
Roberts Wesleyan College
2301 Westside Drive
Rochester, NY 14624