Output of ECP matrix elements
Clicked A Few Times
2:36:25 AM PDT - Fri, Jun 2nd 2017
Dear all:

I am looking for a way to output the AO matrix elements of ECPs. I assume that this i possible with some debug/output settings. Does anyone know precisely what to use? Appreciate any hint.

Thanks,
Bjoern


Forum >> NWChem's corner >> Running NWChem