| 4:13:10 AM PDT - Thu, Jun 14th 2018 |
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You would need to modify the source. The relevant file is $NWCHEM_TOP/src/property/raman.F, and you want to change the line
9012 FORMAT(1X,I3,F9.2,F14.4)
to something like
9012 FORMAT(1X,I3,F9.2,ES14.4)
If you are interested in resonance Raman, then you would also want to change the line
9014 FORMAT(1X,I3,F9.2,3F14.4)
to something like
9014 FORMAT(1X,I3,F9.2,3ES14.4)
Those lines are at the end of the raman_scattering subroutine. After making the changes,
cd $NWCHEM_TOP/src/property
make
cd ../
make link
and you should be good to go.
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