Conical intersection line on hypersurface and 'INACTIVE'

IM Grant Ian.Grant.99 at
Thu Nov 21 13:09:24 GMT 2002

Dear Molpro users,

Having located the lowest energy point on a 1-dimensional conical 
intersection, I'm trying to locate other points.
I thought that the way to do this might be using the 'INACTIVE' card of the 
OPT program to fix one of the (three) variables of the system.
At the first OPT, the inactive card is ignored.
At the second OPT, the (fatal) error message is:
'Variable R specifed on INACTIVE card is not a geometry parameter'

r is the variable from the z-matrix-specified geometry I want to fix. I've 
also tried fixing the spatial coordinates of two atoms to achieve a similar 
effect, but the same error is given.

I see in the archives someone else had similar problems with INACTIVE, but 
not answers were given.

Any help appreciated,


IM Grant, Science 98
Ian.Grant.99 at

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