[Wannier] Problem in getting the wannier function in hexagonal BN mono layer.

Bikash Patra bikashpatra.phy at gmail.com
Thu May 20 08:52:59 CEST 2021


Dear experts,

I want to calculate the wannier function of the first six bands of the
monolayer of the hexagonal
boron nitride. I attached all the input files. The spreads are not
converging even after 3000 steps.
I get wiggles in the wannier interpolated band structure as shown in the
attached figure.
I would greatly appreciate any guidance. Thank you in advance.



with best regards,
Bikash Patra,
NISER, Bhubaneswar, India.
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