[Pw_forum] K points of the whole BZ or the irreducible part?

W. YU yuwen_66 at yahoo.com
Tue Jan 11 11:24:28 CET 2005


Dear PW users,

In choosing k points in pw calculation, one can
specify kpoints or let the program generate kpoints
automatically by giving the mesh. In the output file,
the number of kpoints will be printed also. Is the
number of kpoints printed the totally number in the
whole BZ or just the irreducible part? 

It seems to be the irreducible part when the kpoints
are generated automatically. But by explicitly
specifying the kpoints, the output number of kpoints
will be exactly the same as the input. In this case,
it doesn't seem to be the kpoints in the irreducible
part. Am I right?  


		
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