[Pw_forum] optimization of any structure

[j.antonio.montoya at gmail.com]

Dear Santhya

forc_conv_thr = 1.0D-10 ???

Are you sure that you need this level of convergence? Typically, I would use 1.0D-4.

Cheers!

Javier.


Javier A. Montoya
Geophysical Lab. - CIW
Washington, DC 20015 
USA

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-----Original Message-----
From: "sathya subramanyan" <sathya_sheela1985001 at rediffmail.com>

Date: 30 Jul 2008 08:16:48 
To: pw_forum<pw_forum at pwscf.org>
Cc: <prasenjit.jnc at gmail.com>
Subject: [Pw_forum] optimization of any structure


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