[Pw_forum] SCF correction problem in relaxation

[Lorenzo Paulatto]

In data 04 giugno 2009 alle ore 05:03:18, Jhon W. González  
<jwgonzal2 at yahoo.es> ha scritto:
> and always get the same warning "SCF correction compared to forces is  
> too large, reduce conv_thr"

When the forces are ~zero the SCF correction will always be large compared  
to them. What counts is if the forces are small enough for you to consider  
the calculation converged. Zero +/- zero is still zero.

In any case you can get rid of the message by setting i.e. upscale=1.e+5  
which will allow the program to reduce the convergence threshold down to  
insane levels, preventing the message from displaying. But is this what  
you really want?

regards


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