Subject: Gaussian RW files

From: <[email-masked]>
Date: Tue, 24 Jan 1995 13:35:26 -0500

Netters:

Recently I posed the question brought up by Chris Ehrendorfer concerning very
large RW files to Mike Frisch, unaware/oblivious to this posting. Mike's reply
was to reduce the size of the DIIS history and by not computing quadrupole and
higher moments.  He commented that the following would reduce the RW file by
2/3:

Iop(3/32=1,5/39=10)

3/32 concerns moments and 5/39 concerns DIIS cycles, a max of 10 in this
example.

Hope this helps...

Maybe it should be default?

Regards,

John

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John M. McKelvey			email: [email-masked]
Computational Science Laboratory	phone: (716) 477-3335
2nd Floor, Bldg 83, RL
Eastman Kodak Company			
Rochester, NY 14650-2216

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