as an example, leads to calculation of amplitudes for LMOs 3-6 and 8. The
coefficients are read from file lmos
(UHF: lalp
and lbet
),
the numbering is due to the output from the localizaton section.
For an UHF case this means: If you included in the localization procedure
e.g. 5 α-type orbitals and 3 β-type orbitals, then, if you are
interested in plotting the β-type LMOs only, you have to type
$pointval lmo 6-8