CCL:G: G03: crystal polarizability and pbc
- From: "Joaquin Barroso"
<jbarrosof\a/comex.com.mx>
- Subject: CCL:G: G03: crystal polarizability and pbc
- Date: Mon, 1 Sep 2008 15:38:07 -0400
Sent to CCL by: "Joaquin Barroso" [jbarrosof!A!comex.com.mx]
Greetings everyone,
Is there a way to calculate the polarizability of a crystal using the PBC module
in Gaussian03? Could you point me to a reasonable set of papers regarding this
question? I've been having troubles trying to make one of these calculations to
converge and i havent had the time to take a deeper look on how to propperly use
the aforementioned module.
Thanks to everyone for your kind help Best wishes,
Dr. Joaquin Barroso-Flores
Centro de Investigacin en Polmeros, COMEX
Marcos Achar Lobatn 2, Tepexpan, Mpo. de Acolman
Mexico
Tel Cel: 0445510072407
Correos alternos:
joaquin.barroso^a^gmail.com
jbarroso^a^cip.org
jbarrosof^a^comex.com.mx