[Wien] SYMMETRY MATRIX in case.outputkgen
HyeJung Kim
hkim42 at uiuc.edu
Fri Aug 17 08:48:53 CEST 2007
Hello,
I'm testing a simple zincblende case(F LATTICE, NONEQUIV.ATOMS: 2216_F-43m), and seems I can't get a shifted k-mesh. The reason was traced down to case.outputkgen and noticed 'SYMMETRY MATRIX' looks funny.
SYMMETRY MATRIX NR. 1
0 3 -48
47 0 -3
48 -47 0
SYMMETRY MATRIX NR. 2
0 -3 48
-47 0 3
-48 47 0
SYMMETRY MATRIX NR. 3
0 0 0
0 0 0
0 0 0
.................
These matrix are same for different number of k-points, and are different from those in case.struct 24 SYMMETRY OPERATIONS, which looks fine. Is this what I suppose to see in outputkgen? Or how can I get a shift k-mesh?
Thanks.
Hyejung.
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