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[abinit-forum] about the convergence study

From: jiangx3@rpi.edu
To: forum@abinit.org
Subject: [abinit-forum] about the convergence study
Date: Sun, 02 May 2010 11:25:45 -0400
Organization: Rensselaer Polytechnic Institute

Dear All,

I have a question about the convergence study of abinit. In the tutorial
1 I see that they have to achieve 0.01eV difference then they say it is
convergent. But for my system, I have 48 atoms in one supercell and I
also did the convergence study, but I only achieve 0.21 ev difference
even I took ecut=35 Ha (I think it is a large number but I am not sure).
Should I increase the ecut again or this energy difference is already
enough for my system? Thanks in advance!

Best regards,
XUeping Jiang

[abinit-forum] about the convergence study, jiangx3, 05/02/2010