Dear user, I am trying to calculate the transport properties using the wannier90 code with quantum espresso. My system is phosphorene and I am doing different dopings, molecule adsorption, and heterostructure devises with phosphorene. I want to know how to choose atomic projections for supercells namely, pristine, doped, with a molecule and with another 2d sheet like graphene? How to set the number of bands in .win file? Thanks in advance Regards
*Mohammad Ubaid* *PhD Research Scholar* *Department of Physics* *Jamia Millia Islamia University* *New Delhi - 110025*
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