[xcrysden] Problem with 2D charge density maps

[Tone Kokalj]

On Thu, 2009-08-06 at 17:10 -0500, Nicholas Dimakis wrote:
> What I do is to read the f.9 files from CRYSTAL06 and do a 2d map
> difference calculation using xcrysden. 
> 
> I use resolution 0.1 in the first card
> 
>  The "second" screen pops-up (i.e., CRYSTAL06 properties have been
> calculated and then I do the following
> 
> Select color basis :RGB
> Scale function Linear (or anything else it same results as long as I
> adjust the range)
> Ranges: the default is -7.12 to +39.86 and I get nothing !. 


The default range is from minimum to maximum value that appears in the
data-grid.


> If i go to -0.001 +0.001 then I get something, which are the isolines
> that I was looking for.

Which is what you are supposed to set!


> If I pick display color plane then I get blue, red areas in green (or
> other color) backbground. Is it possible to have a white plane so red,
> blue and the isolines also to be visible ?

You get green because you selected RGB color-basis (RGB=Red-Green-Blue).
To get the blue-white-red colors of colorplane, you sould select the
BLUE-WHITE-RED color-basis. Then you may also change the color of
isolines to black to make them more apparent.

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

Please, if possible, avoid sending me Word or PowerPoint attachments.
See:  http://www.gnu.org/philosophy/no-word-attachments.html