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Re: [abinit-forum] space group


Chronological Thread 
  • From: mmikami@rc.m-kagaku.co.jp
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] space group
  • Date: Mon, 1 Sep 2003 14:55:16 +0900

Hi Folks,

Just by Googling, I noticed the following page wherein
"B1a1" might be used as a notation somewhere :
http://icsd.ill.fr/icsd/help/spaceg.html
or http://crystal.fiz-karlsruhe.de/fiz/products/icsd/spaceg.html
But I don't know it, neither... sginfo also says, "Unknown Space Group Name."
(siginfo: http://www.abinit.org/wws/arc/forum/2003-08/msg00021.html
"Dank u," Jouk !)

The following URLs might be helpful for the other questions in the original e-mail :
- http://www.abinit.org/ABINIT/Infos_v4.1/spacegrouphelpfile.htm
(kindly click the hyperlink of "the table entries or the table ***content***")
- http://www.kristall.ethz.ch/LFK/software/sginfo/hall_symbols.html
- http://aclinux1.chemie.uni-hamburg.de/~xray/sginfo/sginfo_listtable.html
- http://www.crystal.uwa.edu.au/cc_symmetry.shtml
- http://ylp.icpet.nrc.ca/SGHT/
(Hypertables of International Tables: 1983, 1952 and 1935; and Wyckoff 1922)

Regards,
Masayoshi

P.S. If one wants to post a new question, please do not post it as a follow-up.
You might understand this by taking a glance at the following page:
http://www.abinit.org/wws/arc/forum/2003-08/thrd2.html
I just thought that new question should be started as a root, not a branch ...

On 2003.8.31, at 23:13 Asia/Tokyo, Masatake Takahashi wrote:

To hu fenglan and abinit users

On B1a1 structure,
B1a1 is not in the International Table A.
So you should make B1a1 structure from P1a1.
B-faced symmetry should be added.
I think it can be done using "symrel" and "tnons",
but I have not done this modification.

I appreciate any infomation on this.

On other questions (VCA, and dynamical matrix at gammma),
please read Help file and/or FAQ.

With regards.

Masatake Takahashi

Dear everyone,

I can not find the symbol"B1a1". Which sapce group is equivalent to it.
And what is the difference among the symbols "B2cb" ,"B1a1" ,"Bb21m","B21bm"
Furthermore ,for a crystal structue can these all it sapce group?

Thank you.
hu





  • Re: [abinit-forum] space group, mmikami, 09/01/2003

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