[molpro-user] Restarting CCSD(T) calculations

Ang Shi Jun a0072211 at u.nus.edu
Mon Nov 14 16:00:10 CET 2016


Dear all,

May I know how I can restart a CCSD(T) calculation? Adding file,2,filename.wfu seems to only restart the SCF part by reading the density. 

Is there a way to read the CI vectors too?

Thank you very much!

Regards,
Ang Shi Jun
PhD Candidate
NUS Grauduate School for Integrative Sciences and Engineering
National University of Singapore


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