[Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly

[Tone Kokalj]

On Tue, 2014-05-27 at 10:50 -0700, David Foster wrote:
> Dear Prof. Kokalj
> Thank you again for your guide. I usually use it, but introducing 0<ibrav<14 in cases which there are symmetry, increases speed of calculations.

In this case, one way to convert is this: first convert from
"crystal-conventional" coordinates to Cartesian and then from Cartesian
to "crystal-primitive". This involves a bit of matrix algebra and
"octave" program comes very handy in this respect.

Regards.
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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