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Re: [abinit-forum] Can anyone give a instructive sample in using the xtaledit to build a model for abinit?


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  • From: Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Can anyone give a instructive sample in using the xtaledit to build a model for abinit?
  • Date: Wed, 11 Apr 2007 10:52:23 +0900

Dear Hongyi Zhao,

I am not familiar with XtalEdit, but I think that
it may be obsolete (without maintenance anymore ?)...
The author (Dr. Kotani) moved to the U.S.
If you would like to contact him, you might want to
give it a try with his new e-mail account:
http://som.asu.edu/faculty/bio.php?profile=111
But, you should understand that no supports
may be assured by him, if he has decided not to
maintain the XtalEdit. (It is not a commercial software,
and the authors are not paid by the support.)

Our developers are making efforts for input-making for ABINIT.
http://www.abinit.org/workshop_07/Presentations/Liege_Pesant.ppt

Some commercial products may work... for example,
http://www.scienomics.com/
(N.B. I have not yet tried with "MAPs". At your own risk !)

I think that once you go through the tutorial/tests_fast,v1-5,
you might feel easier to make your own inputs ...

Good luck,
Masayoshi

P.S. I am afraid that the two-byte characters
(Chinese characters for the cited poem) might
cause problems to some of the subscribers/mail-servers...
(In fact, I cannot read them on some mailers.
Not a few mail-servers outside Asia may reject
such e-mails by assuming them "SPAMs")
Please read our Netiquette:
http://www.abinit.org/community/?text=netiquette

On 2007/04/10, at 21:08, Hongyi Zhao wrote:

Hi all,

I am a newbie in using xtaledit to prepare the input model for abinit.
When I import some samples input files shipped with abinit, I often meet
errors such-and-such, can anyone give a minimal sample for the using
xtaledit to build the input files for abinit?

Thanks in advance.

---
Hongyi Zhao (����)
GnuPG DSA: 0xD108493B

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