Hi Fatima,

   Trying different numbers of points around H means that you will be
changing the delta_K you take to fit the parabola.
   Besides this, you must also try a band structure with more K_points. Fix
the delta_K and see how the effective mass changes with the number of
points inside the range. As I said, choosing the suitable delta_K and its
number of points may be a hard task.
   Keep in mind that fitting three points will give you a perfect but
probably meaningless parabola.
   Good luck,
                  Luis
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