Hello,
I am curious if there is a way to create *.cube files of unoccupied orbitals. The dplot task only seems to be able to create meaningful visualizations for the occupied orbitals.
My dplot section for the LUMO of Ag20 currently looks like this:
dplot
gaussian
title ag20CubeFile
LIMITXYZ
-5.0 5.0 100
-5.0 5.0 100
-5.0 5.0 100
spin total
vectors Ag20_excited_poles.movecs
orbitals; 1; 111
output 111dplot.cube
end
Any suggestions will be greatly appreciated.
Thank you,
Lindsey
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