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<p class="MsoNormal"><span lang="EN-US" style="color:black">Dear Everyone,</span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black"> </span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black">Recently we have looked into the overlap and KS Ham matrix in MLWF basis using Wannier90 interfaced with QE, and further project the two matrices onto atomic orbital basis. But still not successful. </span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black"> </span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black">It sounds the </span><span style="color:black">.mmn</span><span lang="EN-US" style="color:black"> and</span><span style="color:black"> .amn files, are overlap and projection matrix between bands, not
sure if they are in AO basis. Also, _hr.dat file contains the Ham matrix in the WF basis</span><span lang="EN-US" style="color:black">(band), is there a way to project it onto AO basis?</span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black"> </span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black">Any idea to extract the needed data?<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black">Thank you in advance.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black">Best,</span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black"> </span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black">Wei</span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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