$VEC group (optional, relevant for all SCFTYP's) (required if GUESS=MOREAD) This group consists of formatted vectors, as written onto file PUNCH in a previous run. It is considered good form to retain the titling comment cards punched before the $VEC card, as a reminder to yourself of the origin of the orbitals. For Morokuma decompositions, the names of this group are $VEC1, $VEC2, ... for each monomer, computed in the identical orientation as the supermolecule. For transition moment or spin-orbit coupling runs, orbitals for states one and possibly two are $VEC1 and $VEC2. ========================================================== $DM group (relevant in Divide and Conquer runs) This group consists of a formatted density matrix, read in exactly the format it was written. See GUESS=DM, and NDCPR in $DANDC. ==========================================================
generated on 7/7/2017