write-failed error on large systems


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Forum Vet
7:08:03 PM PST - Tue, Dec 19th 2017
it is quite likely that you ran out of disk space.
You might want to switch to direct SCF by adding the direct keyword in the dft input section

dft
 direct
end

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