[Pw_forum] sorry for the above bug letter
XiaoSong Du
dxs571 at mail.ustc.edu.cn
Thu Sep 1 09:37:07 CEST 2005
In a test of GaAs phonon frequency caculation, at a k-point e.g.
(-0.25000 -0.25000 0.25000 ),the outfile has such result as follows,
what i can't understand is the meaning of the 4 q-points in the star.
Number of q in the star = 4
List of q in the star:
1 -0.250000000 -0.250000000 0.250000000
2 0.250000000 0.250000000 0.250000000
3 0.250000000 -0.250000000 -0.250000000
4 -0.250000000 0.250000000 -0.250000000
In addition there is the -q list:
1 0.250000000 0.250000000-0.250000000
2-0.250000000-0.250000000-0.250000000
3-0.250000000 0.250000000 0.250000000
4 0.250000000-0.250000000 0.250000000
By the way in the example i find the inputfile of non-scf and phonon caculation
of GaAs describing k-space sampling is wrong
,which should be a 444 M_P sampling instead of the 2 point.Am I right?
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡Xiaosong Du
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡dxs571 at mail.ustc.edu.cn
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2005-08-31
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