 |
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.
|