[Wannier] Ab initio based Tight binding model

[Elie Moujaes]

Dear prof. Yates,

 

Thanks again for the clarification. I was not aware of this difference in scale thing. Of course by just looking at the plots, you can figure out that there is a misplacement because the energies are the same but the x axis positions are not. Is there anywhere I can read more about this scale difference because I looked at the output of both W90 and PWSCF and found that the poisitions of the atoms in cartesian coordinates are the same so I am not quite sure where does it show that there is a difference in the scale of the x axis in both methods.

 

P.S: I did use the same k-points in both.

 

Thank you again and sorry for disturbing you.

 

 

Regards

 

Elie
 		 	   		  
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