Dear all,
I use CASTEP and I would like to display the electron density isosurface
resulting from a periodic surface calculation on jmol mapped onto a xy plane at
a given z position.
I achieved some positive outcome by
1- creating a cube file with the density and an xsf file with the unit cell
(for some reason the cube file I created doesn't contain the unit cell info,
and I don't seem to be able to load the isosurface from the xsf file).
2- loading the xsf file before and overlapping the isosurface from the cube file
3- extending the isosurface to the desired periodicity using the lattice {x y
z} command
I am now struggling in drawing the xy plane intersection through the isosurface
and extending it to all the cell (or the repeated cells, for instance {3 3
1})... If I use "plane xy", the plane is displayed at some position (the origin
I think), but I can't manage to move the plabe where I want.
If I use " plane(pta,ptb,ptc)" the plane is only shown between the three
points instead of being extended to all the plane.
Is there a way to do what I want?
Thanks in advance for your help
Marco
University of Reading
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