The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Third Possibility is to use 
sqrt(0.75) instead of 0.8660254037844386 in your input file.

A very good practice regarding usual structures and computation is to search some examples of input files that describes the same kind of systems. For instance, for the example of hexagonal lattice:
"grep -i hexagonal */*/*.in" in the tests directory indicate you about 10 input file that may contain very valuable information and save you a lot of time.

Regards

PMA

On 8/7/07, Deyu Lu <deyulu@yahoo.com> wrote:

Sahu:
    Alternatively, you can use "angdeg 90 90 120"
instead of "rprim". Then you don't need to worry about
the number of significant digits.

    Best
    Deyu

--- brsahu@physics.utexas.edu wrote:

> Dear Abiniters and ChinChai,
>
> With more significant digits in acell, rprim and
> xred, the hexagonal symmetry with correct number of
> symmetry operations are found.
>
> Sahu
>




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