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<DIV><SPAN lang="EN-US" style="FONT-FAMILY: 宋体; mso-bidi-font-size: 10.5pt; mso-font-kerning: 0pt; mso-bidi-font-family: 宋体">Dear All,<O:P></O:P></SPAN></DIV>
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<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><SPAN lang="EN-US" style="FONT-FAMILY: 宋体; mso-bidi-font-size: 10.5pt; mso-font-kerning: 0pt; mso-bidi-font-family: 宋体">I use d3.x in&nbsp;PWscf to calculate&nbsp; phonon life of Si. But I do not understand the results of it. I want to know which data is related to&nbsp;the phonon life.&nbsp;The data below is in the&nbsp;si.anh_G and si.d3G.out. what do the datas stand for?</SPAN></P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><SPAN lang="EN-US" style="FONT-FAMILY: 宋体; mso-bidi-font-size: 10.5pt; mso-font-kerning: 0pt; mso-bidi-font-family: 宋体"></SPAN>&nbsp;</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><SPAN lang="EN-US" style="FONT-FAMILY: 宋体; mso-bidi-font-size: 10.5pt; mso-font-kerning: 0pt; mso-bidi-font-family: 宋体"></SPAN>&nbsp;</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><SPAN lang="EN-US" style="FONT-FAMILY: 宋体; mso-bidi-font-size: 10.5pt; mso-font-kerning: 0pt; mso-bidi-font-family: 宋体">Derivative of the force constants(si.anh_G)<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;<BR>&nbsp; 1&nbsp;&nbsp;&nbsp; 2&nbsp; 2 10.2000000&nbsp; 0.0000000&nbsp; 0.0000000&nbsp; 0.0000000&nbsp; 0.0000000&nbsp; 0.0000000<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp; 'Si '&nbsp;&nbsp;&nbsp; 28.0860000000000&nbsp;&nbsp;&nbsp;&nbsp; <BR>&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.0000000&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.0000000&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.0000000<BR>&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.2500000&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.2500000&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.2500000</SPAN></P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><SPAN lang="EN-US" style="FONT-FAMILY: 宋体; mso-bidi-font-size: 10.5pt; mso-font-kerning: 0pt; mso-bidi-font-family: 宋体">&nbsp;&nbsp;&nbsp;&nbsp; Third derivative in cartesian axes</SPAN></P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><SPAN lang="EN-US" style="FONT-FAMILY: 宋体; mso-bidi-font-size: 10.5pt; mso-font-kerning: 0pt; mso-bidi-font-family: 宋体">&nbsp;&nbsp;&nbsp;&nbsp; q = (&nbsp;&nbsp;&nbsp; 0.000000000&nbsp;&nbsp; 0.000000000&nbsp;&nbsp; 0.000000000 ) </SPAN></P><SPAN lang="EN-US" style="FONT-FAMILY: 宋体; mso-bidi-font-size: 10.5pt; mso-font-kerning: 0pt; mso-bidi-font-family: 宋体">
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; modo:&nbsp;&nbsp;&nbsp; 1</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">&nbsp; 1&nbsp; 1<BR>&nbsp;&nbsp;&nbsp;&nbsp; -0.194289029309E-15&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp; -0.124900090270E-15<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp; -0.416333634234E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp; -0.832667268469E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.693889390391E-16<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.383186572412E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp; -0.971445146547E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.383186572412E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.138777878078E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp; 1&nbsp; 2<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp; -0.277555756156E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp; -0.385633147861E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp; -0.385633147861E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp; 2&nbsp; 1<BR>&nbsp;&nbsp;&nbsp;&nbsp; -0.416333634234E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.277555756156E-16<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.277555756156E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp; -0.555111512313E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.832667268469E-16<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp; -0.385633147861E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp; -0.111022302463E-15&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp; -0.385633147861E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp; -0.277555756156E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp; 2&nbsp; 2<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.277555756156E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp; -0.416333634234E-16<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.416333634234E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp; -0.277555756156E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp; -0.693889390391E-16<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.385633147861E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.277555756156E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.385633147861E+00<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.416333634234E-16&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.000000000000E+00</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; modo:&nbsp;&nbsp;&nbsp; 2</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; ..........</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; ..........</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">&nbsp;</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">********************************</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">Calculating the matrix elements &lt;psi |d^2 v |dpsi&gt;&nbsp;&nbsp; (si.d3G.out)</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">&nbsp;&nbsp;&nbsp;&nbsp; calling drhod2v<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1<BR>&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.650919&nbsp; 0.000000<BR>&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.325460&nbsp; 0.000000<BR>&nbsp; 0.650919&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.325460&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2<BR>&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.650919&nbsp; 0.000000<BR>&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.325460&nbsp; 0.000000<BR>&nbsp; 0.650919&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.325460&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1<BR>&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.727750&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000<BR>&nbsp; 0.727750&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000<BR>&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000<BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2<BR>&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.727750&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000<BR>&nbsp; 0.727750&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000<BR>&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000&nbsp;&nbsp;&nbsp; 0.000000&nbsp; 0.000000</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">&nbsp; .....</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">&nbsp;&nbsp;.....</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">&nbsp;</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">I really appreciate your help. Best wishes for you!</P></SPAN>
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