[molpro-user] conical intersection

[Antonio Carlos Borin]

Dear all,

I´m trying to compute a conical intersection. I´m using no symmetry (c1 
and geometry in xyz format) and the following input cards (following the 
example from lih2):

.......
{hf}

{multi;occ,32;closed,22;wf,,1,0;state,5         !state averaged casscf
CPMCSCF,NACM,2.1,3.1,accu=1.0d-7,record=5100.1        !cpmcscf for 
non-adiabatic couplings
CPMCSCF,GRAD,2.1,spin=0.5,accu=1.0d-7,record=5101.1   !gradient for state 2
CPMCSCF,GRAD,3.1,spin=0.5,accu=1.0d-7,record=5102.1}  !gradient for state 3

{Force
SAMC,5100.1             !compute coupling matrix element
CONICAL,6100.1}         !save information for optimization of conical 
intersection

{Force
SAMC,5101.1             !compute gradient for state 1
CONICAL,6100.1}         !save information for optimization of conical 
intersection

{Force
SAMC,5102.1             !compute gradient for state 2
CONICAL,6100.1}         !save information for optimization of conical 
intersection

optg,startcmd=multi     !find conical intersection

----------------------------------------

The MULTI state complains with the message:  ILLEGAL STATE  2.1 
SPECIFIED ON CPMCSCF CARD

Can you help me?
Best,
Antonio