Subject: What is a reasonable length of time for a DFT geometry optimizati on?

From: "Thoms, Travis" <[email-masked]>
Date: Tue, 2 Oct 2001 11:28:29 -0700

Greetings!
	I am currently running a DFT geometry optimization for the molecule
Ir(phenylpyridine)3 (Gamess US, 750MHz Duron).  It is currently on its third
week of calculation, and it is still not finished.  Can anyone tell me how
to develop a sense for how long these things take,and maybe some clues on
how to shorten the run?

Thanks,

Travis Thoms
Research Associate
Canon R&D Center Americas. inc.
Telephone: 1-408-468-2864
Facsimile:1-408-468-2810
[email-masked]