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Localised molecular orbitals

If one has generated localized molecular orbitals (LMOs, see above) they can also be visualized.

$pointval lmo 3-6,8

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



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