[QE-users] Convergence in Hexagonal Systems

[Anuja Chanana]

Hello all,
I am trying to converge a hexagonal and cubic system of BN. The cubic
system shows a convergence while the hexagonal system doesn't, though the
parameters are the same. I guess there might be some issue in the Nitrogen
pseudopotential. Can you please look into the issue?
PFA the input files for both the systems.



Thanks and Regards
Dr. Anuja Chanana



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02/09/19,
2:41:41 PM
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