[Pw_forum] meaning of "folds in point"

[Stefano de Gironcoli]

in the output the first column is an integer numbering the points,
when it is said that point 33 folds in points 7 it means that point 33
is equivalent for symmetry reasons to point 7 so that one does not
need to compute it but can rather obtain its contribution to band energy,
density etc from the results of points 7 (with appropriate weight).

This is just the way special points operate...
in case of doubts please refere to some original literature.

A. Baldereschi,  Phys. Rev.  B 7, 5212 (1973).
D.J. Chadi e M.L. Cohen,  Phys. Rev.B  8, 5747 (1973).
H.J. Monkhorst e J.D. Pack,  Phys. Rev. B 13, 5188 (1976).

best,
   stefano


W. YU wrote:

>Dear Stefeno,
>
>Thank you for answering my question. 
>
>One more question, I found there are four columns in
>the output of kpoints.x. I don't know the meaning of
>the last column called "folds in point" and are there
>any use for these numbers?
>
>Best regards,
>
>W. YU
>
>
>
>		
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