Dear all,
I perfomed a calculation on ?TlAs, the electronic band shows a semi-metallic
behavior, and I want to calculate the phonons dispersion, in this case, we ?use
the metallic option in the scf input? or we consider this compound as
semiconductor in order to have the dynamical properties (Born effective ?charge
and the dielectric tensor)?
Thanks you in advance.
?
?Moulay Mazouz
D?partement de Physique
Universit? des Sciences et de la Technologie d'Oran.
USTO. Oran.?Alg?rie
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