[Pw_forum] How to plot the 2D-charge density for a triclinic or monoclinic box

Tone Kokalj tone.kokalj at ijs.si
Sat Sep 13 21:15:56 CEST 2008


On Mon, 2008-09-08 at 19:39 +0800, vega wrote:
> Dear all,
>  
> I need to plot 2D charge density for a triclinic or monoclinic box.
> while the section plane along the c-axis is not a rectangle but a
> parallelogram. so the vector of the section plane e1 and e2 is not
> orthogonal. how could I specify the e1(1)~e1(3) and e2(1)~e(3) in this
> case. 

Quite simple, pick one vector, say e1, and make the second one, say e2,
orthogonal to it, see
http://en.wikipedia.org/wiki/Gram%E2%80%93Schmidt_process

Then you may scale the so obtained vector to suit your needs.

Regards, Tone
-- 
Tone Kokalj <tone.kokalj at ijs.si>
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel:
+386-1-477-3523 // fax:+386-1-477-3822)



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