[Wannier] wrong projection of wannier functions

Poonam Kaushik poonamkaushik40 at gmail.com
Sun Sep 6 22:31:31 CEST 2020


Dear All,
I am new here.
I am trying to produce the wannier functions in QE6.5 using wannier_ham.x.
Calculations are spin polarised and  I am getting the wrong projections
corresponding to some of the atoms also this is happening in the spin1 case
only in spin2 case everything is fine. After trying a lot I am not able to
understand why this is happening. Can anyone please help me to understand
the reason, and how to resolve this issue?

Thanks and regards,
Poonam Sharma




-------------------------------------------------------------------------------------------------
Poonam Sharma
Research Scholar
Department of Physics
Indian Institute of Technology Bombay
Mumbai - 400076
India.
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