[Wien] Convergence problem within the method GGA+U

[Abderrahmane Reggad]

Hello again

When you choose a convergence criterion for energy equal to 0.00001 , do
you think it's normal that the scf cycle stops arbitrarily ; onetime stops
when dE= 0.000059 and another time stops when dE= 0.000023 and so on.

I didn't see such a situation in the previous versions

Best regards



-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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