<div dir="ltr"><div>I appreciate if anyone give me any idea about this?</div><div><br></div><div>Best,</div><div>Xiaoming<br><br>On Friday, April 5, 2019 at 9:37:45 PM UTC-4, Xiaoming Wang wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hi,<div><br></div><div>In qs_moments.F line 1212 the position operator matrix reads</div><div><br></div><div><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">eigrmat(ispin)</span><span style="color:rgb(215,58,73);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">%</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">matrix</span><span style="color:rgb(215,58,73);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">%</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">local_<wbr>data(:, idim) = </span></div><div><span style="color:rgb(215,58,73);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">CMPLX</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">(op_fm_set(</span><span style="color:rgb(0,92,197);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">1</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">, ispin)</span><span style="color:rgb(215,58,73);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">%</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">matrix</span><span style="color:rgb(215,58,73);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">%</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">local_data(:, idim),</span></div><div><span style="color:rgb(215,58,73);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">-</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">op_fm_set(</span><span style="color:rgb(0,92,197);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">2</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">, ispin)</span><span style="color:rgb(215,58,73);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">%</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">matrix</span><span style="color:rgb(215,58,73);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">%</span><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">local_data(:, idim), dp)</span></div><div><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre"><br></span></div><div><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">If I change the minus sign to plus, would then the </span></div><div><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">off-diagonal elements be the transition</span></div><div><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">dipole matrix elements, which is </span></div><div><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">mo_coeff_b^T*CMPLX(cosmat,<wbr>sinmat)*mo_coeff_a?</span></div><div><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre"><br></span></div><div><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">Best,</span></div><div><span style="color:rgb(36,41,46);font-family:SFMono-Regular,Consolas,"Liberation Mono",Menlo,Courier,monospace;font-size:12px;white-space:pre">Xiaoming</span></div></div></blockquote></div></div>