Firefly and PC GAMESS-related discussion club


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



Excited states of different symmetries in the same input

Antonio Carlos Borin
ancborin@iq.usp.br


Dear users,

Is it possible to compute excited states beloging to different irreducible representations in the same run? For instance, A' and A'' states in Cs point group?

Could you, please, send me an input as example?

Best regards,
Antonio


[ Previous ] [ Next ] [ Index ]           Tue Feb 26 '13 10:21pm
[ Reply ] [ Edit ] [ Delete ]           This message read 1173 times