From owner-chemistry@ccl.net Fri Feb 23 11:13:01 2024
From: "Bradley Welch welchbr2!A!msu.edu" <owner-chemistry_+_server.ccl.net>
To: CCL
Subject: CCL: Spin orbit DFT in nwchem
Message-Id: <-55102-240223111222-15093-qbNT2g9hLrujTYVq+9/ajg_+_server.ccl.net>
X-Original-From: "Bradley  Welch" <welchbr2/a\msu.edu>
Date: Fri, 23 Feb 2024 11:12:21 -0500


Sent to CCL by: "Bradley  Welch" [welchbr2:msu.edu]
Dear users

I have used the ecp spin orbit DFT in the past. I've seen it can be used with 
the ZORA approximation. Does this require using uncontracted basis sets, or can 
ZORA specific sets be used?

Best
Bradley Welch