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about the convergence of pp


Chronological Thread 
  • From: "Wu Rongqin" <g0203654@nus.edu.sg>
  • To: <forum@abinit.org>
  • Subject: about the convergence of pp
  • Date: Thu, 8 Apr 2004 12:15:47 +0800

Dear all,

When I use the HGH pp to do calculation I find that it is very hard to get
converged, have you experienced such a matter?

Rongqin

-----Original Message-----
From: Masayoshi Mikami [mailto:mmikami@rc.m-kagaku.co.jp]
Sent: 2004年4月8日 10:38
To: forum@abinit.org
Subject: Re: [abinit-forum] About

Dear Wan,

As you like ... still, the following page also might be interesting:
The Orbitron:
a gallery of atomic orbitals and molecular orbitals on the WWW
http://www.shef.ac.uk/chemistry/orbitron/
and the reference page therein:
http://www.shef.ac.uk/chemistry/orbitron/admin/references.html

Regards,
Masayoshi

On 2004/04/08, at 10:38, ccmp@nju.edu.cn wrote:

> Dear All.
>
> How I can plot the 3D-picture of the atomic orbital, such as d
> orbital, p orbital? Which software can do it?
>
> Thanks
>
> Wan
>



  • about the convergence of pp, Wu Rongqin, 04/08/2004

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