Using the PW86 + PBE XC functional with XDM in nwchem

Clicked A Few Times

5:36:34 AM PST - Mon, Jan 29th 2018
Hi all, Just wondering if anyone has had experience combining XC functionals? I'm not sure how to use the pw86pbe combination as described in the XDM documentation (pw86 as exchange, pbe for correlation): http://schooner.chem.dal.ca/wiki/XDM#A_note_about_using_XDM_in_nwchem How would I go about including this in my input file? I can't work it out from the online manual dft x perdew86 1.0 c PBE xdm a1 0.8829 a2 1.1669 direct iterations 10 print kinetic_energy end Thanks, A

Clicked A Few Times

7:15:52 AM PST - Mon, Jan 29th 2018
Please close thread. I think I got the answer
So by reading my output, I think something like this worked: dft xc xperdew86 1.0 cpbe96 1.0 xdm a1 0.8829 a2 1.1669 direct iterations 10 print kinetic_energy end