OrbPopER

Specifies the energy range for the MOs to which the OrbPop key applies. The default range is from -0.7 below the HOMO to 0.2 hartree above the LUMO. Usage:

OrbPopER minEn maxEn

where minEn and maxEn are both in hartree, and have the defaults just specified. In order to get information on many more orbitals, simply specify a large negative value for minen and a large positive value to maxen.

 

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