[molpro-user] viewer for derivative coupling and gradient difference on CI

Joonghan Kim quantum99 at gmail.com
Tue Sep 2 02:14:22 BST 2014


Dear all

I optimized the conical intersection (CI) using molpro2012.
I would like to plot the derivative coupling and gradient difference
vectors on CI.
Please let me know the viewer (program) to visualize those vectors.
Thank you in advance.



-- 
Joonghan Kim, Ph. D.
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Assistant Professor
Department of Chemistry
The Catholic University of Korea
Bucheon, Gyunggi-do 420-743, Korea
(Tel)+82-2-2164-4338
(Fax)+82-2-2164-4764
(E-mail) joonghankim at catholic.ac.kr, quantum99 at gmail.com
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