[xcrysden] charge density

Tone Kokalj tone.kokalj at ijs.si
Fri Jan 10 09:16:30 CET 2014


On Wed, 2014-01-08 at 06:05 -0800, Hamidreza Balangi wrote:
> Hello,
> 
> I have used denchar program and generated .XSF file including data
> blocks of 
> RHOof SIESTA by mulliken. But when I open it using Xcrysden I always
> see the atoms 
> only and Data Grid section in tools does not show me the density
> plots.

What do you mean by "Data Grid section in tools does not show me the
density plots"? Does it imply that the menu is inactive? If not, then
read these:
http://www.xcrysden.org/doc/density.html
http://www.xcrysden.org/doc/isocontrol.html
http://www.xcrysden.org/doc/plane1control.html

Note the "lighting" mode should be switched on (radiobutton on the right
toolbox) to see the density plots!

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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