[xcrysden] failure to set isovalue under linux

Tone Kokalj xcrysden@democritos.it
Fri, 13 Oct 2006 18:31:01 +0200


>  
>   I am a user of XCrySDen.  I just came to a trouble with isosurface
> setting.  I run the command 'xcrysden --xsf file.xsf' to display
> isosurface of atom orbital.  xcrysden could  display crystal
> strucuture successful , but no isosurface . 
> Then i refered to tools/data_grid and tried to input a value for
> isovalue. But no response to my input number.

The number you input should be within the min-max range, otherwise
xcrysden will complain. 

Note also that when you input the isovalue number, you should
mouse-click the "Submit" button (it is located at the bottom right of
the "Isosurface control" window). Only then xcrysden will calculate the
isosurface.

Regards, Tone