[Pw_forum] Convergence threshold

[Carlo Sbraccia]

On Sat, 9 Apr 2005, Paolo Giannozzi wrote:

> On Thursday 07 April 2005 20:03, Carlo Sbraccia wrote:
>
>> when you do a structural relaxation (as, I think, you are doing) the
>> convergence threshold is set automatically by the algorithm according
>> to the level of convergence achieved in the structural relaxation
>
> I just noticed that once upon a time the (updated) convergence threshold
> was printed at each scf step, but it isn't any longer

During a bfgs relaxation the (updated) convergence threshold is printed at 
each ionic step as "new conv_thr  = ....", just after the information 
about trust_radius.

carlo