[Wannier] dis_win_max and dis_froz_max

[Elie Moujaes]

Dear Wannier90 users,

 

I am calculating the band structure of graphene 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. I would be very thankful if someone could make things clearer for me..

 

 

Thanks

 

Elie Moujaes

University of Nottingham

NG7 2RD

uk
 		 	   		  
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