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

[Tone Kokalj]

On Tue, 2014-05-27 at 08:21 -0700, David Foster wrote:
> Dear Tone and Giovanni
> 
> thank you for your helps. So, how can I correct crystal positions by using v1, v2, and v3?

My advice is the following: given the fact that ibrav>0 cases always
depend on the definition of the hard-coded lattices and conventions, I
almost always use ibrav=0 + CELL_PARAMETERS. This way the user
controls/specifies the structure the way he/she sees fit.

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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