Restarting CCEXCI calculations

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Posts: 4
Joined: 12 Feb 2014, 18:41
First name(s): Daniel
Last name(s): Kannar
Affiliation: ---
Country: Hungary

Restarting CCEXCI calculations

Post by kannar » 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?


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