Overlap and Hamiltonian Matrix

Clicked A Few Times	11:16:23 PM PDT - Mon, Jun 8th 2015 How to extract overlap and hamiltonian matrices from nwchem output? I need to know them but am not getting any way to find them out. Please help!

Just Got Here	7:36:07 AM PDT - Tue, Jun 9th 2015 ao overlap Hi You should write keyword print "ao overlap" in your input. AO overlap will calculate in out put in the box "global array: Temp Over" moein

Clicked A Few Times	4:35:02 AM PDT - Wed, Jun 10th 2015 Thanks Moein. But how do I get the Hamiltonian in matrix form?

Forum >> NWChem's corner >> General Topics