Queries about input and output files, running specific calculations, etc.
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goja25
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#1
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by goja25 » Fri Nov 27, 2009 12:48 pm
Hi all,
L point of Brillouin zone in cartesian coordinates for bulk PbTe with two atoms (units of 2pi/a) is L=(1/2,1/2,1/2).
How this point will look for slab (PbCdTe) with 260 atoms?
Please help
Margo
Last edited by
goja25 on Fri Nov 27, 2009 12:48 pm, edited 1 time in total.
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admin
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#2
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by admin » Tue Dec 01, 2009 1:26 pm
please use group theory to project this point to the 2D BZ opf your slab (orientation)
Last edited by
admin on Tue Dec 01, 2009 1:26 pm, edited 1 time in total.