Subject: convergence in NBO

From: "Sérgio" <[email-masked]>
Date: Mon, 11 Jan 1999 08:54:59 -0200

Dear Netters,

    In order to determine the energy of stabilization due
to resonance, I am trying to delete Fock matrix elements 
of some (or all) unbonded (stared) orbitals. But the SCF 
calculation without these elements does not converge. 
How can I obtain the convergence.

    Thanks,

                Sergio