Hi,
I would like to ask if there is any possibility of restarting geometry optimization calculations after they end with timeout in ORCA before doing a single ionic step.
Here is my input:
# CCSDT Geometry Optimization in Orca
! Opt TightOpt TightScf NumFreq CCSD(T) def2-TZVP
%PAL
NProcs 8
end
%MaxCore 10000
%scf
MaxIter 250
guess hcore
SCFMode Direct
MaxDisk 128
end
%mdci
MaxIter 250
MaxDIIS 25
end
*xyz 1 3
MY_GEOMETRY
*
Thank you in advance!