[Wien] help doping while preserving symmetry

[Chouaib AHMANI FERDI]

Hello Wien users,

I would like to know if it can be possible to reduce the calculation time
by preserving symmetry and replacing one atom of the non equivalent atoms
with the doping atom. If possible, how ?

​The case structure is LiMn2O4 (space group : fd3m) and the doping atom is
Ni which gives : LiNi0.5Mn1.5O4

Faithfully,


-- 
AHMANI FERDI Chouaïb
Ph.D Student in Material Science
Ecole Normale Supérieure
Mohammed V University, Rabat.
Tel : +212 6 94 59 57 60
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