[Wien] Wannier functions

Ruben Weht ruweht at cnea.gov.ar
Wed May 30 15:09:28 CEST 2007


Dear Wien users and developers,

We want to explore the possibility to calculate the Wannier
functions from a result obtained by Wien2k.
To do that we need to evaluate the overlap matrices between
two Kohn-Sham eigenvalues at different k points.
We wonder if anybody has already implemented or studied
this possibility.

In case not, we have in mind to do it using the methodology
implemented in lapw7, to calculate the wave functions,
and then to evaluate those overlap matrices. 
Do you think it is feasible?.

Thanking you in advance for your help,

          Ruben



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