[Wien] wannier+wien

fatemeh.mirjani f_mirjani at ph.iut.ac.ir
Mon Mar 3 09:20:24 CET 2008


Dear Users;

For converting LAPW basis to Wannier function I need to calculate M(k,b)=<u(k)|u(k,b)>.
Where  u(r) has the periodicity of the Hamiltonian and b is a vector that connect a k-point to the nearest neighbours.  
I guess Wien2k can calculate M(k,b) ! Is it true?
Could you explain me in which program  I should find something for calculating M(k,b)?
I am anxiously looking forward your replies and guidelines.
-- 
Best Regards
Fatemeh Mirjani
Computational Condensed Matter Research Lab.
Affiliated ICTP Center,
Physics Department, Isfahan University of Technology, Iran
Email: f_mirjani at ph.iut.ac.ir 
Tel/Fax Office: +98311-3913746
Tel Lab.: +98311-3913731
Mobile: +98913-2111369



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