cdft issue


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Forum Vet
8:50:51 AM PDT - Thu, Apr 5th 2012
My recommendations:

Get rid of the line "convergence nolevelshifting"

Use "geometry noautoz noautosym"

Add:

driver
  maxiter 1000
end

Thanks,

Bert

Quote:Remyapr Apr 1st 7:02 am
yes .NWchem 6.1