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DC4 & D2C Dispersion
DC4 & D2C Dispersion
ORCA $new_job keyword automatically sets the previous calculation's results as an initial guess.
Setting MaxIter 1 on the second job will run a proper HF-DFT calculation.
!HF cc-pVTZ
* xyz 0 1
He 0 0 0
*
$new_job
!PBE cc-pVTZ
%scf MaxIter 1 end
* xyz 0 1
He 0 0 0
*
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