Subject: largest system available

From: Hua-Jun Fan <[email-masked]>
Date: Tue, 22 Jan 2002 18:22:06 -0600

Hi, CCLer

I am interesting in find out what is the largest system studied
using DFT method until now.  In another words, assuming one has
enomous of CPU power to himself (eg. 512 cpu, 512GB memory, no
limit cpu time), what is the largest system has been optimized?
Either using commercial software, such as Gaussian or ADF, or
freeware, such as MWchem and GAMESS.  Any comments will be
appreciated!

Have a nice day!

huajun

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From: Christoph van Wüllen <[email-masked]>
Date: Wed, 23 Jan 2002 10:07:40 +0100

>limit cpu time), what is the largest system has been optimized?

The issue might be, what is the largest system where a geometry
optimization makes sense.

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From: "Dr. Giju Thomas Kalathingal" <[email-masked]>
Date: Wed, 23 Jan 2002 10:32:33 -0600

> freeware, such as MWchem and GAMESS.  Any comments will be

What do you meany by largest? Is it the molecule, theoretical method,
basis sets,......? Largest systems depends clearly on these factors.
If you look curiously, you will find even hydrogen molecule is largest:)
Any comments?

Giju Kalathingal