Correct wannierization related query
Posted: Tue Jul 17, 2018 5:14 am
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
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