Hi,
I came across another D3 dispersion correction issue. In case I want to carry out geometrical optimization in which dispersion correction gradients are taken into account, do I have to add -grad parameter next to the $disp3 -bj keyword? (-bj form BJ-damping). If I run optimization with "$disp3 -bj -grad", the gradients are little bit different than in case of "$disp3 -bj" (which is logical). However, when I look at the rdgrad output in case of "$disp3 -bj" (i.e. without -grad parameter) it seems rdgrad also calls disp3 procedure. Therefore it raises a question about double counting the dispersion correction gradients in case of "$disp3 -bj -grad".
Thank you very much indeed.