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I have done some calculation with Casino using the multiconfigurational trial wavefunction extrated from GAMESS according to your tutorial. I was able to successfully calculate the energy of C2 in the singlet state. However, for the triplet case the CASINO does not run. Can you help me with this?

Thanks Pablo for the explanation.

I found something different in the optimized coefficients of the AE CUTOFFS. They have the same values. START AE CUTOFFS Nucleus ; Set ; Cutoff length ; Optimizable (0=NO; 1=YES) 1 1 0.878846061910215 1 2 1 0.878846061910215 1 3 1 0.878846061910215 1 END AE CUTOFFS

Thank you Pablo. I'll do some testing.

Hi Pablo,

The files asked are attached.

Best regards,

Braulio Gabriel.

I am facing an optimization problem of the AE CUTOFFS (They are not being optmized) using the CASINO version 2.13.584. I have been previously working with the version 2.12.1 which works properly. Can anyone help me with this?

Is it possible simulating with CASINO a two layer system in a dielectric medium?