unknown field hyperbolic
Clicked A Few Times
11:19:23 AM PDT - Tue, Mar 11th 2014
Dear All,

I used this commed to get resp charges
esp
restrain

hyperbolic 0.001 tight

maxiter 200

tolerance 0.001
end

and it gives me unknown field hyperbolic

Forum Vet
12:00:54 PM PDT - Tue, Mar 11th 2014
You might want to change your input to


esp
  restrain hyperbolic 0.001 0.05
  maxiter 200
  tolerance 0.001
end

Clicked A Few Times
6:29:51 AM PDT - Wed, Mar 12th 2014


Forum >> NWChem's corner >> General Topics