Error in estimating zero-field splitting of mononuclear transition metal complexes with ORCA software..

09 September 2012 0 6K Report

Hi,

I am using ORCA 2.9.0 for the calculation of ZFS (CASSCF calculations). After successful convergence it shows the error, when it calculating Spin-Orbit interaction.

"Error (ORCA_CASSCF): Unknown value for TrafoStep".

It's happening with all of my calculations.

How can I get rid from this error?

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