Firefly and PC GAMESS-related discussion club


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



XMCQDPT calculation on firefly

makhyoun
mmakhyoun@gmail.com


Dear users:

It seems that the program does not recognize the keywords in the $XMCODPT group although the keywords are taken

from the documentation of firefly .  I do not know what is wrong ?.




$XMCQDPT NEL=42 MULT=1 NMOACT=24 NMOFZC=6 ISTSYM=1 $END


MM


[ Previous ] [ Next ] [ Index ]           Mon Nov 14 '11 3:26pm
[ Reply ] [ Edit ] [ Delete ]           This message read 763 times