Grid specification for dummy atoms


Click here for full thread
Just Got Here
2:30:09 PM PDT - Fri, Oct 5th 2012
I have switched to doing HF calculations since this doesn't depend on the grid. The big issue I am having is lets say I want, using your example:

charge 1.
geometry
bqh1 0 0 0 charge 1.10 mass 1.007825
bqh2 0 0 1 charge 0.09 mass 1.007825
end

I can only do this with HF.