Hi, I am trying to calculate the IFCs for a FCC lattice (Al) for a few nearest neighbours. I was following a set of threads, which led me to this one :
http://www.democritos.it/pipermail/pw_forum/2009-August/013613.html Could someone elaborate on the statement (in this webpage), "Notice also that the force constant grid is written as these were periodic ... so in a 4x4x4 grid R(1,1,1) = 0, R(2,1,1,) = a1, and R(4,1,1)=-a1"? More specifically, what is R(3, 1, 1) in this case? Thanks a lot! -- Navaneeth Caltech
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