[Wannier] Fixed centers?

Nicolas Lorente nicolas.lorente at cin2.es
Fri Nov 11 15:35:34 CET 2011


Hi,

is there anyway of fixing the Wannier centers so they don't move during 
the minimization of the spread?

This can be useful to identify symmetries or to assign some physical 
meaning to certain Wannier functions (we
are interested in "defining" an impurity, and sometimes the Wannier 
functions move away from the impurity).

Thanks,

Nicolás

-- 
Nicolás Lorente
Centro de Investigación en Nanociencia y Nanotecnología
Campus de la UAB
E-08193 Bellaterra
Tel. (+34) 935868410

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