[Columbus] Molecular orbital energies

Hans Lischka hans.lischka at univie.ac.at
Sun Mar 23 12:39:27 EDT 2025


Dear Yincheng,
Look into the file mcscfls, there you will find the orbital energies of 
the mcscf calculation.
Best regards, Hans

On 3/22/2025 6:11 AM, Yicheng Zhu via Columbus wrote:
> Dear Columbus Admins:
> Is there a way for me to obtain molecular orbital energies from running MCSCF calculations? If so, which file should I look into?
> Best,
> Yicheng
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