The ABINIT Users Mailing List ( CLOSED )

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

Dear Jerry Lu,

It seems your understanding gets clear. In fact,
you did not do anything fatal in calculation.
(even though you need some corrections, e.g.
 k-points for the 1st B.Z. of the conventional cell etc ...)

Miscommunication may happen, when one may have
different assumptions other than the other's one.
(That is why input/output/log file attachment are needed first)
Then, we look at numerical data, with full knowledge of physics. (*)

BTW, I would like to suggest some other Netiquettes.

- please avoid "two byte characters" as possible.
  (e.g. I cannot see your name that appeared in "From")

- please avoid HTML format, stick to plain text format,
 as noted in Netiquette.
 I do not know which kind of your Mailer, but in principle,
 you could send e-mails in plain text format even with
 file attachment.

Good continuation,
Masayoshi

P.S. About (*):
I had read "the little prince" (le petit prince).
I fondly remember the phrase about a secret:
It is only with the heart that one can see rightly; what is essential  
is invisible to the eye.
("On ne voit bien qu'avec le coeur. L'essentiel est invisible pour  
les yeux.")
We need the heart of physics to rightly understand what we get,  
indeed. ;-)

On 2006/05/23, at 18:08, ������ wrote:

> Thank you very much. I've realized I confused something.
>
>
> Reply From: ½°®½  <ajlu@ustc.edu>
>
> > You are using the conventional cell: therefore, the Brillouin  
> zone of
> > the primitive cell gets folded.
> > The X point point of the primitive Brillouin zone is folded into the
> > Gamma point of the conventional Brillouin zone.
> > Hope this helps.
> >
> >
> > Fabien
> >
>
>
>
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