The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear Rongqin,

Your questions do not appear sufficiently specific.
(Please read again the FAQ before posting your questions.
http://www.abinit.org/ABINIT/Infos/FAQ.html , e.g.,
http://www.abinit.org/ABINIT/Infos/FAQ.html#NoResponce )
You might want to be back with your benchmark results.
Have you tried energy convergence test with respect to
energy cut-off ? HGH PP may be harder than Troullier-Martins PP.

In passing,
* Please avoid two-byte characters in your e-mails.
* Please do not cite e-mails that is not relevant to your question !
  (Kindly note also that the subject is appropriate to your question.)
* Please do not just post your question as just follow-up,
  if you want to start a new thread.
* Please try feed-back when you obtain suggestions/comments.
You apparently have something to be feedbacked, e.g,
http://www.abinit.org/wws/arc/forum/2004-03/msg00062.html
(I have little time to dig in the archive... the rest may be left as 
your task.)

Good continuation,
Masayoshi

On 2004/04/08, at 13:15, Wu Rongqin wrote:

> 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