[gpaw-users] [ase-users] Convergance BUG in GPAW

[Ask Hjorth Larsen]

Dear Aleksander Dawid

On Tue, 6 Jul 2010, Aleksander.Dawid at us.edu.pl wrote:

> Dear GPAW-developers
>
> I have found that GPAW convergance check procedure can't distinguish between
> 64.9999978 and 65.000002. If this two values changes simultanously the
> program is not able to converge. I am useing new version of GPAW
> (0.8.6630).
>
> Hope to hear from you
> Aleksander Dawid

I'm CC'ing this to the gpaw-users list (let's keep future replies there).

What do you mean the values change simultaneously?  Could you attach the 
input script and the text output file?

Also there's a web page about convergence issues here:

https://wiki.fysik.dtu.dk/gpaw/documentation/convergence/convergence.html

Best regards
Ask Hjorth Larsen