Dear Wannier90 developers,
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. I am currently using the settings: begin projections f=0.333,0.333,0.5:pz:Zona=5.9 f=0.667,0.667,0.5:pz:Zona=5.9 end projections In this case, 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 a way for me to specify that I want to project onto these orbitals in using Wannier90. Thanks! Michael Liudeng Department of Physics University of Toronto
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