[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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