TianY
reypwg@gmail.com
I got some difficulty to finish the sample calculations of EXAMPLE09 downloaded together with the Firefly package.
It is about MCQDPT calculations. The test system has C2V symmetry, but I got the error when the MCQDPT starts:
JOB ABORTS. YOU MUST EITHER
A) PROVIDE A SYMMETRY ADAPTED MO SET BY GUESS=MOREAD
B) ENTER NOSYM=1 TO USE THESE SYMMETRY BROKEN MO-S.
Do you have any idea about this?
Thanks
Yong Tian