Hi,
I am following the mpb tutorial on diamond (or FCC?).
Would like to check whether is there any difference in the coordinates of
the high symmetry points between a diamond lattice and a FCC lattice?
Eg. for diamond lattice, L point is given as (0 0.5 0) in MPB tutorial;
however, for FCC, L point is given as (0.5 0.5 0.5) from literature (Kittel
Solid state Physics book).
Understand that the Brillouin zones of diamond and FCC lattice are the
same.
Another question I have is the radius of the spheres used. In the MPB
tutorial on diamond lattice, r is 0.25. So, if I were to compute
the band diagram for an opal (FCC) structure, the radius
r should be 0.25 or 0.35355 (i.e. sqrt2*0.25)?
Appreciate your kind advice. Thanks in advance!
Best regards, LayKuan
_______________________________________________ mpb-discuss mailing list [email protected] http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
