[Wien] Calculating the room temperature properties with LDA+U OR GGA+U methods

[Abed Reg]

Dear wien2k's users

as Rocquefelet said "

To conclude, when I use LDA+U or GGA+U, I always consider a set of
properties. I choose the Ueff value to reproduce one property and then I
use this Ueff value to predict the others. For sure it can be
problematic in some cases but it works quite nicely in general."

Can we use theses methodes to calculate the room temperature properties

of a material if we reproduce the room temperature lattice constants
with the parameter U

best wishes


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