[xcrysden] Need help

[Tone Kokalj]

On Thu, 2014-01-09 at 20:06 -0800, Lawal Mohammed wrote:
> Dear Developers and Users,
> I am using Wien2k, I got this error 
> 
> zero vector was submitted for normal, when executing xc_isospacesel
> <mesaWin> center2D -normal {x y z}......
> when I try to calculate density with xcrysden. Can anybody help me to
> resolve this?

This message provide way insufficient information. You should provide
more thorough description of what you did to obtain this error.

I believe that the error occurred before you tried to calculate the
density, i.e., during the selection of rectangular/parallelepiped 2D
region for the 2D density grid. The error complains about a zero vector,
which probably implies that you clicked three collinear atoms.

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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