Correct wannierization related query

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anindya@iiita
Posts: 75
Joined: Sat Mar 03, 2018 7:37 am
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Correct wannierization related query

Post 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
carla.verdi
Posts: 155
Joined: Thu Jan 14, 2016 10:52 am
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Re: Correct wannierization related query

Post 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
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