[Wien] [WIEN]A very simple question on LAPW-sets

[Jun Jiang]

Dear Professor:
        I wonder that whether the LAPW-sets obey the Bloch theorem? If it is
true, then diagonal elements of the over-lap matrix of one k-point should be
equal to that corresponding ones calculated at the other k-point,

ie if phi_{k_n}(\vec r) = e^{i\delta k\cdot r} phi_{k_m}(\vec r)   (\delt
k=k_n-k_m)  (suiting for both region of MT and Interstital)

then

 < e^{-i\delta k\cdot r}phi_{k_m}(\vec r) | e^{i\delta k\cdot
r}phi_{k_m}(\vec r) > = < phi_{k_m}(\vec r) | phi_{k_m}(\vec r) >

     I took it for granted that the sets of different k-point are related by
the Bloch theorem for a long time. Occasionally I compared some numerical
results of  the diagonal elements of the over-matrix from different k-points
(before these matrix diagonalization), it saw that these values
of corresponding matrix elements are different from each other about
10^(-2). I am confused by these results. So I just want to make it clear
that the LAPW-sets follow the Bloch theorem or not?

     Thank you very much!

                 Your
sincerely Jun
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