[Wien] min_lapw / *** false convergence ***

[Olivier Delaire]

Dear Wien-users,

I was wondering about the meaning of the "*** FALSE CONVERGENCE***" 
which sometimes appears in the case.outputM file.
I get this message in case.outputM , but  I still get small forces at 
the end of the case.outputM file, and an apparently trouble-free 
termination. The message shows up after a series of Cauchy steps of size 
becoming smaller and smaller and showing up as "0.000" and a decreasing 
value of "radius" all the way down to 0.438E-12.
Also, the forces reported in case.scf_mini are different from those in 
case.outputM and those are VERY large.
Could someone give me some explanations as to what may be going on?
thanks and regards,
Olivier.