NWChem error


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Forum Vet
11:15:59 AM PST - Tue, Nov 5th 2019
use direct SCF
Please add the direct keyword to the DFT input section

dft
 xc b3lyp
 mult 2
 maxiter 3000
 convergence energy 1e-5
 direct
end


https://github.com/nwchemgit/nwchem/wiki/Density-Functional-Theory-for-Molecules#direct-se...