The ABINIT Users Mailing List ( CLOSED )

[jjr19@uakron.edu]

In the documentation for shiftk, multiple k-point shifts are recommended for 
certain kinds of lattices, and from a brief look at the ABINIT code, all 
these shifts seem to be added to a k-point more or less one right after the 
other, with some sort of normalizing (?) done after each shift. I'm not sure 
though what the difference is supposed to be between this:

nshiftk 4
shiftk 0.5 0.5 0.5
      0.5 0.0 0.0
      0.0 0.5 0.0
      0.0 0.0 0.5

and this:

nshiftk 1
shiftk 1.0 1.0 1.0