Restarting CCEXCI calculations
Posted: 04 May 2014, 12:10
Dear All,
I would like to ask that is it possible to restart a Coupled Cluster Excited State calculation (CCEXCI) and the following Transition moment calculation (CCLRSD) after a system shutdown. The converged CCRE_x_y/CCLE_x_y vectors can be used for the new calculations somehow?
Thanks,
Daniel
I would like to ask that is it possible to restart a Coupled Cluster Excited State calculation (CCEXCI) and the following Transition moment calculation (CCLRSD) after a system shutdown. The converged CCRE_x_y/CCLE_x_y vectors can be used for the new calculations somehow?
Thanks,
Daniel