From owner-chemistry@ccl.net Tue Jan 17 14:24:01 2006
From: "Ryan R Wixom gp.wixom a gmail.com" <owner-chemistry-.-server.ccl.net>
To: CCL
Subject: CCL: making pseudopotentials with fhi98PP
Message-Id: <-30536-060117125636-8918-bPdEiyivBuvN12kTtlHXrA-.-server.ccl.net>
X-Original-From: "Ryan R Wixom" <gp.wixom]_[gmail.com>


Sent to CCL by: "Ryan R Wixom" [gp.wixom||gmail.com]
I wonder if any of you CCL'ers are adept at making and testing pseudopotentials with the fhi98PP code.  If so, and you are willing to help me, or at least give me some suggestions I would greatly appreciate it.  Feel free to contact me off list.

I'm trying to make an Erbium PP.  It seems rather difficult.  I have had good luck with easier elements... such as Silicon, but what I get for Erbium is pure rubish.

Cheers,

Ryan Wixom
gp.wixom()gmail.com