[molpro-user] state-averaged MCSCF

liuxj at iccas.ac.cn liuxj at iccas.ac.cn
Thu May 12 08:02:18 BST 2005

Previous message: [molpro-user] how to set occupied orbitals
Next message: [molpro-user] how to fixup orbitals unchangable in the optimization process
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Dear all
I did a state-averaged mcscf calculation and it ended with the error : 

MORE STATES THAN CONFIGURATIONS SPECIFIED:  0  1 

I attached the output here. 

Any advice is welcome 

Liu
 -----------------------------------------------

Previous message: [molpro-user] how to set occupied orbitals
Next message: [molpro-user] how to fixup orbitals unchangable in the optimization process
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the Molpro-user mailing list