CCL: W:Calculation of the electrost potential of a single surface in a
crysta
- From: "Adrian Villegas"
<adriano]*[eps.mcgill.ca>
- Subject: CCL: W:Calculation of the electrost potential of a single
surface in a crysta
Sent to CCL by: "Adrian Villegas" <adriano]*[eps.mcgill.ca>
Hey folks,
Has any of you calculated the electrostatic potential using (Gaussian 03)
for a particular face of a crystal?
I assume that I have to define a specific grid for that particular face
in order to distinguish it from the overall electrostatic potential estimated
for the entire molecule.
How should I do this?
Thanks a lot
Adrian Villegas