Check the WriteIonPlotFiles option
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On 14 Feb 2023, at 06:17, Francisco Garcia
mailto:garcia.ff@gmail.com>> wrote:
Dear Users,
I would like to know how to obtain the data for the radial part of a given
basis orbital for plotting. E.g. the radial part of Al 3s and Al 3p for SZ
basis.
Hi
Probably the easiest is to use sisl to read in the geometry + orbital
information.
Then something like this:
R = np.linspace(0, 10, 100)
geometry.atoms[0].orbitals[0].radial(R)
this should give you the radial component for the first orbital on the
first atom. The indexing should be
