[Pw_forum] crystal or tpiba_b

[Elie Moujaes]

Dear all,

 

I read that if we are trying to calculate the band structure, it is better to use {tpiba_b} in ATOMIC POSITIONS rather than {crystal}. Is the only difference related to the points that will be plotted at the end  because one is wrt to cartesian and the other relative to crystallographic axes?

 

 

 

Regards 
 		 	   		  
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