[Pw_forum] simple question about plotband.x

Elie Moujaes elie.moujaes at hotmail.co.uk
Fri Jul 15 03:00:23 CEST 2011


Dear all,
I am doing calculations on grain boundaries of graphene. When I use plotband.x  and restrict the limit of the energies between say -2.1 and 2.1 eV , The produced curve has limits between -2.7 and 1.8. Why is that the case? This is also affecting the graph in the sense that when I set the fermi energy as a reference , the dashed line at the zero is lower than the actual Fermi energy where bands intersect..See graph attached (in the graph the point 0.0 is lower than 0.3299 where the bands intersect). Howvere the general band structure is correct. How can I solve this problem

Thanks
Elias MoukaesUniversity of NottsUKNG7 2RD
 		 	   		  
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