Hello All,
I am a new user in QE, I am curious to know about two things:
1). In any high symmetry, path let say Silicon Γ—X—U|K—Γ—L—W—X, what is
the meaning of U|K, In bandstructure, such type of points drawn at one sing
points while there corresponding coordinates mention separately.
2). while calculating the k path how we can decide the weightage such as
K_POINTS {crystal}
8
0.0000 0.0000 0.0000 15 !k
0.5000 0.0000 0.5000 6 !l
0.6250 0.2500 0.6250 14 !p
0.3750 0.3750 0.7500 8 !g
0.0000 0.0000 0.0000 16 !h
0.5000 0.5000 0.5000 0 !l
0.5000 0.2500 0.7500 12 !u
0.5000 0.0000 0.5000 9 !k
4th column in the above data.
Thanks
-------------------------------------------------------------------------------------------------
Poonam Sharma
Research Scholar
Department of Physics
Indian Institute of Technology Bombay
Mumbai - 400076
India.
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