Posted by Steven Vancoillie on September 16, 2010 at 17:37:57:
In Reply to: CASPT2 convergence posted by Nuno A. G. Bandeira on April 22, 2010 at 15:53:31:
: Even when I go up to 50 cycles the RNORM error keeps going at 0.02 but the correlation energy stays constant the whole time. What is the source of this RNORM error if the energy remains constant ?
Can you provide the output file?
grtz
//Steven