DFT energy component under COSMO model


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Forum Vet
JT,
The energy difference you are observing is coming from the contribution of the COSMO solvation model.
Unfortunately, this value is not printed in the output (but you can find it assigned to variable ecosmo in the routine
$NWCHEM_TOP/src/nwdft/scf_dft/dft_scf.F)

Cheers, Edo