[Wannier] wannierization

Ubaid Mohd onlymubaid at gmail.com
Wed Oct 24 12:44:04 CEST 2018

Dear experts,

I am calculating the band structure of phosphorene based materials and
there are two parameters that I dont quite understand: dis_win_max and
dis_froz_max. I got the band structure of graphene but still there is
something not right about it as I do not get a zero gap at the K
point. I looked at the graphite example and also read the users guide
but did not really get exactly what these parameters do. I know they
are very crucial to get a better result. Also I nned to know how to
choose right projections for the atoms. For P atom I am taking pz
projections, but bandstructure is not quit good. I would be very
thankful if someone could make things clearer for me.


*Mohammad Ubaid*
*PhD Research Scholar*
*Department of Physics*
*Jamia Millia Islamia University*
*New Delhi - 110025*
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