The type of guess orbitals. Defaults to
READ
for geometry optimizations after the first step, toCORE
for single atoms, and toSAD
otherwise. TheHUCKEL
guess employs on-the-fly calculations like SAD, as described in doi:10.1021/acs.jctc.8b01089.
- Type: string
- Possible Values: AUTO, CORE, GWH, SAD, HUCKEL, READ
- Default: AUTO