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Re: Printing MP2 natural orbitals in the output file (to be used for visualization)

Alex Granovsky


There is no an possibility to dump MP2 (as well as CIS/TDHF/TDDFT NOs)
to the output file. You can visualize MP2 NOs using the same strategy as described here:

for visualization of state-specific/state-averaged CIS/TDHF/TDDFT NOS.

Kind regards,
Alex Granovsky

On Fri Apr 7 '17 4:07pm, GrEv wrote

>I am interested in visualization of MP2 natural orbitals from an MP2 calculation. The orbitals are printed in the punch file but not in the output file. Should I use some print option to print them in the output?

>Best regards,

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