Firefly and PC GAMESS-related discussion club



Learn how to ask questions correctly


Re^3: How to improve convergence

Vyacheslav
kreme_vg@chemy.kolasc.net.ru


Dear Richard,
thank you very much for your ref. I did not know about this work. I see that it has the big resonance. This method can be really used in Firefly?
Vyacheslav
--------------------------------------------------


On Mon Dec 28 '09 2:24am, Richard wrote
---------------------------------------
>Vyacheslav

>Just to add to what Sanya said, you might like to check out J. Phys. Chem. A 2008, 112, 10968 for a method which produces DFT-D like effects and can be used with the current version of Firefly.

>Richard
>


[ Previous ] [ Next ] [ Index ]           Tue Dec 29 '09 10:56am
[ Reply ] [ Edit ] [ Delete ]           This message read 868 times