Dear users,
I wish to ask a question about surface interlayer relaxation. I would like to
know if the interlayer relaxation is dependent or independent of the surface
unit cell geometry. As an example, If I relax fcc (111) slabs having (1x1),
(sqrt(3)xsqrt(3))R30, and (2x2) surface unit cells,
Hello,
I don't have a lot of experience in this area, however I suppose that the
size of the unit cell slightly acts upon the relaxed interlayer distance.
Indeed, when fixing the cell size, you restrict the relaxation processes
to ones commensurable with the cell size. The relaxed geometry may the
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