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Generation of localized MOs:

$localize enables calculation of localized molecular orbitals. Per default a Boys localization including all occupied MOs is carried out (i.e. the squared distance of charge centers of different LMOs is maximized). As output one gets localized MOs (written to files lmos or lalp /lbet in UHF cases), informations about dominant contributions of canonical MOs to LMOs and about location of LMOs (from Mulliken PA) are written to standard output.



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