Dear Paolo
Yes You really right. This code was last time updated by Eyvaz Isaev?
(Late===If I m not wrong.) But the calculations are quite well with ibrav
= 2 (with two atoms of Zn and O) but this problem occurs when I use ibrav = 1
and eight atoms (4 Zn and 3 O and 1 S.)
Where is the problem I can not find it. We work with simple FCC alloys by
giving 4 atoms position using ibrav =1 . It also work wells. But in case of ZB?
structure it creates problem
Muhammad Zafar
PhD Scholar
Department of Physics
The Islamia University of Bahawalpur,Pakistan
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