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Correct wannierization related query

Posted: Tue Jul 17, 2018 5:14 am
by anindya@iiita
Dear Experts,
How to get the correct wannierized band structure comparable with pw band structure?Should I tune the parameter dis_win_max and dis_froz_max for it only or there is something more which can be tuned also.I am facing some difficulties with correct wannierization.I am having one more query, can an incorrect wannierization cause unphysical result in output(i.e. star printed values). I have already gone through wannier90 guide. Please suggest me a way to do it correctly.

Thanks and regards,
Anindya Bose

Re: Correct wannierization related query

Posted: Wed Jul 25, 2018 1:20 pm
by carla.verdi
Hello Anindya,

another important input can be the initial projections. It is useful to look at the wannier90 tutorial on top of the guide and go through some of the examples :)

Carla