Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^3: ERROR:**** THERE ARE ATOMS LESS THAN 0.100 APART, QUITTING... ****
Luca Maidich
luca.maidich@gmail.com
Dear Siddheshwar,
you're right, the formula is 3N-5 for linear systems and 3N-6 for others, where N is the number of atoms. I think I read somewhere (but don't remember where, I'm sorry) that it's not compulsory to use the exact number it is sufficient to use something different than 1 or 0...by the way, as I said before, I think that using the right number is a good practice :)Kind Regards
Luca
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Wed Jan 2 '13 3:15pm
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 996 times