[Wien] No convergence during Volume Optimization

[Abderrahmane Reggad]

Thank you Dr Pieper for the rich information.

Yes I have a antiferromagnetic material and for the convergence problem ;
the calculation jumps to the next point before reaching the energy criteria
(foe example with energy criteria of 0.0001 , it jumps when reaching energy
difference of 0.0008 ).

I have resolved the problem by using another values for the cell parameters
and with different points for volume optimization.

Thank you again for the apreciated help

Best regards

-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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