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