[Wien] A question about the speed of geometry optimizaion

[L. D. Marks]

If they should be at fixed positions, it might be a little faster, but
(alas) it also might not -- almost impossible to predict.

On Tue, 26 Jul 2005, [gb2312] =BE=FC =D2=D7 wrote:

> Dear Sir,
>
>  If I constraint some atoms(DELTA(i)=3D0.0), does  the speed of geometry =
optimization  become significantly faster than before?
>
>
>
> __________________________________________________
> =B8=CF=BF=EC=D7=A2=B2=E1=D1=C5=BB=A2=B3=AC=B4=F3=C8=DD=C1=BF=C3=E2=B7=D1=
=D3=CA=CF=E4?
> http://cn.mail.yahoo.com

Note: if you have an old email address for me, please note that "nwu" has
been changed to "northwestern".
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu
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