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<p>Dear Wannier90 developers,</p>
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<p>I hope you are doing well! I am trying to construct Wannier functions for the two pi-bands of graphene starting from a tight-binding model. For the A_mn calculation, I would like to project the Bloch functions onto 2pz hydrogenlike orbitals (exponential
decay modulated by Y_10, with a node at r = 0), but am not sure how to do this using the orbital definitions provided in the User Guide. </p>
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<p>I am currently using the settings:</p>
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<div>begin projections</div>
<div>f=0.333,0.333,0.5:pz:Zona=5.9</div>
<div>f=0.667,0.667,0.5:pz:Zona=5.9</div>
<div>end projections</div>
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<p>In this case<span style="font-size: 12pt;">, I can't change the node of the r=2 radial function to the origin using a finite Zona value, and I am not sure if there is another good choice of orbitals to use? I am wondering if there is</span><span style="font-size: 12pt;"> a
way for me to specify that I want to project onto these orbitals in </span><span style="font-size: 12pt;">using</span><span style="font-size: 12pt;"> Wannier90.</span></p>
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<p>Thanks!</p>
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<p>Michael Liudeng</p>
<p>Department of Physics</p>
<p>University of Toronto</p>
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