[Wien] Convergence problem within the method GGA+U

[Abderrahmane Reggad]

Hello again

I have deleted the following option of charge extrapolation because with it
the convergence was worst

clmextrapol_lapw
 if (-e NiS-afmI-optV_U0-ec00001.clmup &&  ! -z
NiS-afmI-optV_U0-ec00001.clmup) then
     clmextrapol_lapw -up
     clmextrapol_lapw -dn
 endif

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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