Posted by Glen on April 06, 2010 at 21:00:18:
I'm looking to use LoProp to get some polarizabilites and multipole moments, and I have some questions.
1) Are the dipole units Debye and Quadrupole moments in Buckinghams?
2) The manual says the dynamic properties (polarizabilites etc.) are done by default, yet when I run it, it only does the static properties. Is there a keyword I'm missing?
Thanks!