The ABINIT Users Mailing List ( CLOSED )

[Masatake Takahashi <masatake@iis.u-tokyo.ac.jp>]

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