Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Are there any Specific basis sets for ions?

Siddheshwar Chopra
sidhusai@gmail.com


Dear Sir, I know this question is not directly related to Firefly, but as I am using Lithium ions for study, I was curious to know if there are specific basis sets in MASK or AVOGADRO which must be used to study Lithium ion containing molecules? Also could you tell me how to change the CHARGES of specific atoms only?
[ Previous ] [ Next ] [ Index ]           Thu Dec 6 '12 1:10pm
[ Reply ] [ Edit ] [ Delete ]           This message read 709 times