[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