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[abinit-forum] optimization first or convergence study first?

From: jiangx3@rpi.edu
To: forum@abinit.org
Subject: [abinit-forum] optimization first or convergence study first?
Date: Fri, 30 Apr 2010 15:24:59 -0400
Organization: Rensselaer Polytechnic Institute

Dear All,

I just want to ask a stupid question: when we do a calculation, should we
do convergence study first with unoptimized structure or do structure
optimization first with not convergent variables?

Thanks for your answers!!!

Best regards,
Xueping Jiang

[abinit-forum] optimization first or convergence study first?, jiangx3, 04/30/2010