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
