[Pw_forum] strange number of kpoints
Javad hashemifar
jhashemifar at gmail.com
Mon Feb 5 16:45:47 CET 2007
Dear Espresso users
I am calculating CrAs in the hexagonal NiAs structure and in order to
study different types of antiferromagnetic arrangement, the in plane
lattice parameters (a,b) are doubled. I am using an "automatic" k-mesh
of 10x10x14 while the output number of (irreducible) k-points are:
number of k points= 2170
It is strange to me because I expect that the number of kpoints in the
irreducible wedge of the BZ should be less than the total number of
kpoints that I think should be around 10x10x14 = 1400 points.
I searched the archive but unfortunately did not find any answer and
so your comments in this regard is highly appreciated.
This system has 4 Sym.Ops. (with inversion).
Thanks in advance
Javad Hashemifar
======================================
Seyed Javad Hashemifar, Ph.D.
[current:]
Tel:+49-203-3794743 Fax:+49-203-3794742
Fachbereich Physik (AG Kratzer), Universitat Duisburg-Essen
47048 Dusiburg, Germany
[permanent:]
Tel: +98-311-3912375 Fax: +98-311-3912376
Physics Department, Isfahan University of Technology
84156 Isfahan, Iran
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