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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 PWscf to calculate phonon life of Si. But I do not understand the results of it. I want to know which data is related to the phonon life. The data below is in the 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> </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> </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> <BR> 1 2 2 10.2000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000<BR> 1 'Si ' 28.0860000000000 <BR> 1 1 0.0000000 0.0000000 0.0000000<BR> 2 1 0.2500000 0.2500000 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"> 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"> q = ( 0.000000000 0.000000000 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> modo: 1</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"> 1 1<BR> -0.194289029309E-15 0.000000000000E+00 -0.124900090270E-15<BR> 0.000000000000E+00 -0.416333634234E-16 0.000000000000E+00<BR> -0.832667268469E-16 0.000000000000E+00 0.693889390391E-16<BR> 0.000000000000E+00 0.383186572412E+00 0.000000000000E+00<BR> -0.971445146547E-16 0.000000000000E+00 0.383186572412E+00<BR> 0.000000000000E+00 0.138777878078E-16 0.000000000000E+00<BR> 1 2<BR> 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00<BR> 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00<BR> -0.277555756156E-16 0.000000000000E+00 0.000000000000E+00<BR> 0.000000000000E+00 -0.385633147861E+00 0.000000000000E+00<BR> 0.000000000000E+00 0.000000000000E+00 -0.385633147861E+00<BR> 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00<BR> 2 1<BR> -0.416333634234E-16 0.000000000000E+00 0.277555756156E-16<BR> 0.000000000000E+00 0.277555756156E-16 0.000000000000E+00<BR> -0.555111512313E-16 0.000000000000E+00 0.832667268469E-16<BR> 0.000000000000E+00 -0.385633147861E+00 0.000000000000E+00<BR> -0.111022302463E-15 0.000000000000E+00 -0.385633147861E+00<BR> 0.000000000000E+00 -0.277555756156E-16 0.000000000000E+00<BR> 2 2<BR> 0.277555756156E-16 0.000000000000E+00 -0.416333634234E-16<BR> 0.000000000000E+00 0.416333634234E-16 0.000000000000E+00<BR> -0.277555756156E-16 0.000000000000E+00 -0.693889390391E-16<BR> 0.000000000000E+00 0.385633147861E+00 0.000000000000E+00<BR> 0.277555756156E-16 0.000000000000E+00 0.385633147861E+00<BR> 0.000000000000E+00 0.416333634234E-16 0.000000000000E+00</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"> modo: 2</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"> ..........</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">********************************</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left">Calculating the matrix elements <psi |d^2 v |dpsi> (si.d3G.out)</P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"> calling drhod2v<BR> 1<BR> 0.000000 0.000000 0.000000 0.000000 0.650919 0.000000<BR> 0.000000 0.000000 0.000000 0.000000 0.325460 0.000000<BR> 0.650919 0.000000 0.325460 0.000000 0.000000 0.000000<BR> 2<BR> 0.000000 0.000000 0.000000 0.000000 0.650919 0.000000<BR> 0.000000 0.000000 0.000000 0.000000 0.325460 0.000000<BR> 0.650919 0.000000 0.325460 0.000000 0.000000 0.000000<BR> 1<BR> 0.000000 0.000000 0.727750 0.000000 0.000000 0.000000<BR> 0.727750 0.000000 0.000000 0.000000 0.000000 0.000000<BR> 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000<BR> 2<BR> 0.000000 0.000000 0.727750 0.000000 0.000000 0.000000<BR> 0.727750 0.000000 0.000000 0.000000 0.000000 0.000000<BR> 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000</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"> .....</P>
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<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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