manual   quickstart   instguide   update   basis

Next: 18.6.1 Defining the occupied Up: 18 ORBITAL LOCALIZATION Previous: 18.5 Localizing AOs(LOCAO)   Contents   Index   PDF

18.6 Selecting the orbital space

By default, only the valence orbitals are localized, in order to ensure invariance of subsequent electron correlation treatments. This behaviour can be modified using the OCC and CORE directives.

Subsections 2018-07-18