On Tue, 13 Feb 2007, Nils Jensen wrote:
It seems MPB does not support the asymmetric structure, because I check
my structure by using this command: h5topng -x (-y) ....The cross
structure that I get, is not correct!
MPB absolutely supports asymmetric structures.
Perhaps you are using mpbi instead of mpb? (mpbi is MPB configured with
--with-inv-symmetry). The asymmetric structure does not have inversion
symmetry so you can't use mpbi.
Steven
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