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

Alex Granovsky
gran@classic.chem.msu.su


Hello,

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:

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35e9ea902bHW-8671-1054+00.htm

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

Kind regards,
Alex Granovsky



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

>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,
>Evgeniy


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