Subject: Forcefield for carbonates

From: Alfredo Simas <[email-masked]>
Date: Tue, 16 Dec 1997 15:04:58 +0000

Dear Netters,

Does anyone know of a specific forcefield for the computation of 
crystals or clusters of calcium carbonate?

What would be the best ab-initio or DFT way of computing them?

Thank you very much,
Alexandre Silva
DQF/UFPe/Recife
Brazil