Andy
I have created a patch that you can apply to nwchem 6.5 to be able to have a grid on bq's
The URL for the patch is
http://nwchemgit.github.io/images/Bqgrid.patch.gz
In order to be able to have grid on the bq's,
please add the following line to your input file just before the task line
set dft:bqdontcare .true.
Please be aware that this modification has not gone through the same thorough QA testing we use in a released version
Here is an example of a small input file
geometry noautoz
h 0. 0. 0.5
h 0. 0. -0.5
bq 0. 0. 0.
end
basis
* library 6-31g*
end
set dft:bqdontcare .true.
task dft
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