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[Lallet François <francois.lallet@umontreal.ca>]

Dear Shinekin,

You can fix the convergence criterion on total energy with "toldfe", let's 
say 1.0d-8 or 1.0d-9 to start. Once you have converged the total energy for 
each value of ecut you compute the difference in etot for consecutive values 
of etot that you report to the total number of atoms in your cell. A 
convergence criterion can be 0.2eV/atom thus ~0.01Ha/atom but in many cases 
it is easy to do much more better i.e. 1.0d-4Ha/atom. Depends on your system 
and what your are looking for. 
Regards

Francois

-----Original Message-----
From: shinekin [mailto:shinekin@hotmail.com]
Sent: Tue 7/17/2007 9:27 PM
To: forum@abinit.org
Subject: [abinit-forum] convergence test with respect to ecut,how to set the 
criterion?
 
 
dear abiniters, 
 
when i perform the convergence test with respect to ecut, i just don't know 
how to get the criterion of convergence,
 
does it should be the same as "toldff", say 1.0d-12 ?? :(
 
is there any experience value provided?
 
thanks in advance!
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