forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] asking for a pseudopotential of Fe

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: [abinit-forum] asking for a pseudopotential of Fe
Date: Thu, 25 Sep 2008 08:45:33 +0200
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=message-id:date:from:to:subject:in-reply-to:mime-version :content-type:content-transfer-encoding:content-disposition :references; b=xVXmF1+VM5zi+7+c/9UvzO/PvL3dPtdDzAHIXqBd/M/HiOYMdclUUrgfCalTO1IXHz cpdnDa6yswfcXGP3mBK5IJMTdlXRFk59wzf8m/Q1TpkfYjR28gol+Yze1Kv9FnTzKshn CRiRemx/FZ1rbyy0eOVoMnwrEnms1Ks68K6II=

Hi,

In the case no one has what you need available may I suggest you a
look at the following URL :
http://opium.sourceforge.net/
The code you will find here is quite easy to use and comes with nice
tutorials that will help you building your deep pseudopotential.
Also on the pseudopotential part of the Abinit web site you will find
2 pseudopotential generators.

Regards

PMA

On Thu, Sep 25, 2008 at 4:34 AM, asila <asila101@gmail.com> wrote:
> Dear Abinit users
>
> I will be grateful to anyone who can share with a pseudopotential about
> fe, including 3p6 3d6 4s2 valence electrons.
> The pseudopotentials I found in www.abinit.org have no 4s2 in them, however.
> Thank you very much!
>
> yours, Ni Lihong

--
Pierre-Matthieu Anglade

--
Pierre-Matthieu Anglade

[abinit-forum] asking for a pseudopotential of Fe, asila, 09/25/2008
- Message not available
  - [abinit-forum] asking for a pseudopotential of Fe, Anglade Pierre-Matthieu, 09/25/2008