[Wannier] ab initio based Tight binding model

[Elie Moujaes]

Dear Wannier90 users,

 

I have two simple questions:

 

(1)  What is the difference between the ab initio Tight binding model (derived using the Wannier90 localized functions) and the usual Tight binding model based on number of nearest or next nearest neighbours..etc?

 

(2) Would the band structure (say of graphene) differ using ab initio TB model (WANNIER90 code) from the one obtained using PW code although both start with self consistent calculations.

 

 

Regards

 

Elie Moujaes

University of Nottingham

NG7 2RD

UK 
 		 	   		  
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