[molpro-user] MATCHING ERROR IN ICLIST

[Nathalie Rinskopf]

Dear Molpro-users,

When I did a state averaged RASSCF in C2v group for the states : 2DELTA, 2SIGMA+ and 2SIGMA- (symmetry 1 and 4), followed by two CI calculation (state,2), the first one, in symmetry 1, converged well but for the second one, in symmetry 4, I got this ERROR Message:



Molecular orbitals read from record 2149.2  Type=MCSCF/NATURAL (state averaged)

 Coulomb and exchange operators available. No transformation done.
 MATCHING ERROR IN ICLIST, ISHELL,IR:                     1
                     1
 ICONRR    1                  11 10 11 00 00 00 11 11 11 00 11 11 00 11 00
 MATCHING ERROR IN ICLIST, ISHELL,IR:                     1
                     2
 ICONRR    2                  11 11 10 11 11 00 00 11 11 00 11 11 00 00 00
 MATCHING ERROR IN ICLIST, ISHELL,IR:                     1
                     3




Does anyone know a way to overcome this problem?

Many thanks in advance,

Nathalie