[Wannier] Not being able to wannierize using SCDM method in VASP

bhrgabkakati at iasst.res.in bhrgabkakati at iasst.res.in
Wed Apr 23 07:57:01 CEST 2025


Dear experts,

I am trying to wannierize my Heusler system using VASP-wannier. As, 
setting up projection did not work, I resort to SCDM method. I have 
tried varying the MU and SIGMA values but I am still not getting the 
bandstructure overlap. I am attaching ( 
https://drive.google.com/file/d/12BNFQxVUOWy6rqu81zQFCJnIrbLhMn41/view?usp=sharing 
) the wannier90.win and few images of the overlapped bandstrucures. 
Kindly take a look and let me know what I can do to make it matter. Any 
suggestion is welcome. Thank you.


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