[Pw_forum] Re: error in q2r.out
wangjunjie1981_0
wangjunjie1981_0 at 163.com
Wed Feb 28 14:44:15 CET 2007
Dear All
I find a strange problem . the sixth qpoint generated by kpoints.x should have no symmetry operation, but when I calculate phonon spectrum I find this qpoint discover two symmetry operation . I don't know why it is .Could you give me some hints on possible causes of such problem and how to correct it? Thank you very much in advance for your kind help.
this is the sixth qpoint coordinate
6 0.2500000 0.1443376 0.2340828 12.00
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