The ABINIT Users Mailing List ( CLOSED )

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

Dear Shihn Lun.

http://www.abinit.org/ABINIT/Infos_v4.3/varbas.html#angdeg

You might want to refer to the following FAQ, to find the above 
information.
http://www.abinit.org/ABINIT/Infos/FAQ.html#find_doc

(To new subscribers:
 Please download src_tests_*.tar.gz. You can find almost anything
 you need, including Info/*, Test_*/*.in and reference outputs, ...)

Good continuation,
Masayoshi

On 2004/07/14, at 18:13, lsl0426@yahoo.com wrote:

> Dear abinitors,
>
> I try to do a calculation on a FCC structure,
> and I set rprim  0.0 0.5 0.5
>                  0.5 0.0 0.5
>                  0.5 0.5 0.0
>
> Afterward, I set angdeg 60 60 60 in my input and found out
>
> rprim    5.7735026919E-01  0.0000000000E+00  8.1649658093E-01
>         -2.8867513459E-01  5.0000000000E-01  8.1649658093E-01
>         -2.8867513459E-01 -5.0000000000E-01  8.1649658093E-01
> in my output file.
>
>
> Why not rprim  0.0 0.5 0.5 when I set angdeg 60 60 60?
>                0.5 0.0 0.5
>                0.5 0.5 0.0
>
> Could anyone help me to sort my problem?
>
> Thanks a lot in advance.
>
> Shihn Lun.
>
> --