[Jmol-users] << same cube, different surface >>

[I. C. <ic...@gm...>]

Hello,

I am visualizing a cube file (corresponding to a wave function calculated
with SIESTA software) in GaussView and in Jmol.

In GaussView, I got the negative/positive parts of the surface. In Jmol, it
looks like I got only one half.

The images are attached.
The file with black background corresponds to the image produced in Jmol.

I first created the surface in GaussView, then used the isovalue to create
the surface in Jmol with the command:

isosurface cutoff 0.0004 "WF.322.DOWN.REAL.cube"

What am I missing?

In between, I am using Jmol 14.32.47 in Ubuntu 22.04.

Regards,

Camps



Camps