| 10:30:37 AM PST - Mon, Feb 10th 2014 |
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Hi Paul,
The TDDFT analytic gradients implementation is not in the January development build but will be available in the next development upload (in late Feb or March). The resonance Raman part was done in collaboration with Lasse Jensen' s group at PennState with a separate script which will be made available at some point as well. Stay tuned.
Send me a separate email and I'll keep you posted when things are available.
Best,
-Niri
niri.govind@pnl.gov
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