[QE-users] Wannier90_projection

Ubaid Mohd onlymubaid at gmail.com
Wed Oct 3 13:20:41 CEST 2018


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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