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

[Hongsheng Zhao]

On Sunday, September 14, 2008 at 3:15, tone.kokalj at ijs.si wrote:
> 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

Thanks for this hints.

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

I cann't figure can the meanning and the process of *scale the so
obtained vector to suit your needs*.  In detail, in order to plot 2D
charge density for a triclinic or monoclinic box on a arbitrary
plane, the xcrysden will use the two span vectors to construct the
parallelogram.  In the above case, we can *scale* from the e1 and e2 to obtain the the corresponding two
span vectors easily, but for the 2D charge density using by xcrysden,
how can I *scale* from those obtained by e1 and e2 to suit the
xcrysden's needs within the plane decided by the two span vectors?

> Regards, Tone

Sincerely yours,
-- 
Hongsheng Zhao <zhaohscas at yahoo.com.cn> 
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences 
GnuPG DSA: 0xD108493
2008-9-14