Subject: CCL: IPCM and charge-renormalization in Gaussian

From: Damian Scherlis <damian!at!lito.mit.edu>
Date: Wed, 4 Feb 2004 19:15:14 -0500 (EST)

Dear all,
 
 when PCM is used on a charged solute in Gaussian, the
 polarization charge is normalized to be consistent with the
 Gauss Law, with the normalization method selected by the
 command ICOMP.

 What is the default renormalization method in the case
 of IPCM. Is it possible to change it? How?

 Many thanks in advance,

 ------------------------
 Damian Scherlis
 Department of Materials Science & Engineering
 Massachusetts Institute of Technology
 damian!at!lito.mit.edu
 617 253 6026