Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Has anybody checked for spin contamination while using UHF?
Siddheshwar Chopra
sidhusai@gmail.com
Dear all,
I am using UHF in my calculations. Do I need to check for spin contamination too? If yes, how to determine it from the Firefly output?Regards,
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Wed Jul 26 '17 8:51am
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 579 times