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<p class="MsoNormal"><span style="mso-fareast-language:EN-US">Alex,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">You can specify the projections using the fractional coordinate/cartesian coordinate of the atom X in your MX/NX system.
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">Begin projections<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">c=cartesian coordinate of atom x: orbital you want to project<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">Or <o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">f=fractional coordinate of atom X:orbital you want to project<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">End projections<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">For further information, you can check the user guide’s projection chapter.<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Times New Roman",serif">Best regards<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Times New Roman",serif">Gautam Gurung<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
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<p class="MsoNormal"><b><span lang="EN-US">From:</span></b><span lang="EN-US"> Wannier <wannier-bounces@lists.quantum-espresso.org>
<b>On Behalf Of </b>Mate Alex<br>
<b>Sent:</b> 30 August 2020 23:51<br>
<b>To:</b> wannier@lists.quantum-espresso.org<br>
<b>Subject:</b> [Wannier] How to specify the projectors for each atom separately in wannier90.win file?<o:p></o:p></span></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Helvetica",sans-serif">Hi all, <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Helvetica",sans-serif">I am using the wannier90, which is interfaced with VASP Usually, in wannier90.win file, we can mention the projection by using element choice. I want to know how one can
specify the projection for each atom separately in wannier90.win file? Actually, in my system, both the substrate (MX) and the system (NX) have the same element X. I just want to include only the projection of X from the MX system.<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Helvetica",sans-serif">I would be highly thankful to you in this regard. <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Helvetica",sans-serif"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Helvetica",sans-serif"><o:p> </o:p></span></p>
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