# Some questions for Monkhorst-Pack's paper

1. Jul 26, 2011

### jackychenp

Hi All,

I am trying to figure out how Monkhorst-Pack grits work, but I cannot repeat some results in their paper. (H. J. Monkhorst and J. D. Pack, Special points for Brillouin-zone integrations, 13, 5188, 1976)

1. In equation (9), when $|R^b_j - R^a_j|=p$, which is not multiples of q, $W^{ab}_j(q) = e^{-ip\pi/q}(-1)^p$ according to my calculation. Only when r = 0, 1 ,2 ...,q, $W^{ab}_j(q)=0$.
2. In equation (19), I got $\epsilon_{BZ} =\frac{8\pi^3}{v} \sum_{m>1}f_mS_{m1}(q)$
3. In equation A7, if q=4, P(q)=2, but some software gave a value of 10 when q=4 for FCC point group.