fixed electronic structure

[Ondrej Krejci]

Dear All,

Is there a way, how one can calculate the Total Energy with previously calculated wave-function, but without the "scf procedure"?
E.g. I have a wfn/kp file calculated with applied potential, but I would like to know, what is the energy of this system and electronic structure without the potential.

Can just restarting with the wfn/kp file and running a single scf step do the job? 

Thank you for your thoughts!

Regards,

Ondrej