"nshell.ge.mxshel"

[vogel]

Dear Molpro-Users,

I tried to perform a large MRCI calculation on a linear triatomic
molecule, but the job crashes with the message:

 ********************
 *  in CICON        *
 * nshell is     10 *
 *nshell.ge.mxshel !!*
 ********************

 ERROR EXIT

I tried to change the parameter mxshel to 17 in cconf and cconf1 and
recompiled the program, but after successful compilation the MCSCF and
MRCI programs crashed with a message like "error in
schmidt-orthogonalizer" !
Does anybody know how to solve this problem? Are there any dependencies
between the parameters in cconf, cconf1 and elsewhere? I would be happy
about every information!

Here is the last part of my output (if this helps):

-------

1PROGRAM * CI (Multireference internally contracted CI)     Authors:
H.-J. Werner, P.J. Knowles, 1987
 
 
 
 Number of optimized states:  1  Roots:   1
 Number of reference states:  1  Roots:   1
 
 Reference symmetry:               1   Doublet
 Maximum shell in reference space 13
 Maximum shell inside CICON       16
 ********************
 *  in CICON        *
 * nshell is     10 *
 *nshell.ge.mxshel !!*
 ********************
 
 ERROR EXIT