RASSI-SO


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Posted by boris Le Guennic on September 22, 2008 at 16:12:06:

Dear all,

I have a problem with RASSI-SO calculations in Molcas7. In the output file, the relative spin-free eigenvalues do not appear. I would like to know how to do to
make it right by the program.

This is what I see in the output file :
*********************************************************************
*
* Spin-free section
*
*
*********************************************************************

SPIN-FREE ENERGIES:
(Shifted by EVAC (a.u.) = -9000.0)

SF State Relative EVAC(au) Rel lowest level(eV) D:o, cm**(-1)


*********************************************************************
*
* Spin-orbit section
*
*
*********************************************************************

Thanks very much.


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