CCL: IP and EA for infinite systems

From: "Wang, Yixuan" <yixuan.wang * asurams.edu>
Subject: CCL: IP and EA for infinite systems
Date: Fri, 18 Feb 2011 20:40:21 +0000

 Sent to CCL by: "Wang, Yixuan" [yixuan.wang{=}asurams.edu]
 Dear All,
 If you are familiar with, could you talk a little about the procedures to
 calculate IP ( work function) and EA for infinite systems with DMOl3, or other
 software implementing periodic DFT?
 Thanks in advance
 Yixuan Wang, Ph.D
 Associate Professor
 Department of Chemistry
 Albany State University
 Albany, GA 31705
 Tel: 229-430-7843