Subject: localizing virtual orbital with gamess:Summary

From: "Armando Navarro" <[email-masked]>
Date: Fri, 1 Oct 1999 16:54:39 +0200

Some time ago I posted a question about how to locailize valence and =
virtual orbitals with gamess-us using the Boys method
Here the response from Dr. Jensen

I believe you should be able to localize any set of MOs by reading
them in from a $VEC, and set ICHARG=3D-2N (N=3D# of MOs, this will make the MOs
doubly occipied) and RUNTYP=3DPROP in $CONTRL.

Best regards, Jan Jensen

Armando Navarro
Facultade de Quimica. Departamento de quimica organica
Universidade de Santiago de Compostela. Spain