[Pw_forum] Diagonal values are not equivalent of dielectric tensor and effective charge

[Q.J.Wang]

Dear all
     When I calculated phonons dispersion with pwscf, I found the diagonal values are not equivalent of dielectric tensor and effective charge. It as follows:
        Dielectric Tensor:
 -214542629.159461200237         -0.000000017208          0.000000000000
         -0.000000017208 -214542629.159430831671          0.000000000000
          0.000000000000          0.000000000000          5.116454120232
     Effective Charges E-U: Z_{alpha}{s,beta}
     atom #    1
          1.000246806754          0.000000000000          0.000000000000
          0.000000000000          1.000246806755          0.000000000000
          0.000000000000          0.000000000000          2.497025839024
     atom #    2
         -0.753096041524          0.000000000000          0.000000000000
          0.000000000000         -0.753096041523          0.000000000000
          0.000000000000          0.000000000000         -1.984411167723
     atom #    3
          1.000246806754          0.000000000000          0.000000000000
          0.000000000000          1.000246806755          0.000000000000
          0.000000000000          0.000000000000          2.497025839024
     atom #    4
         -0.753096041524          0.000000000000          0.000000000000
          0.000000000000         -0.753096041523          0.000000000000
          0.000000000000          0.000000000000         -1.984411167723
   Why the diagonal values are not equivalent ? How to solve this problem ?
Any comments and suggestions will be highly appreciated!      
--

Best regards
 
Q.J.Wang
 
XiangTan University 
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