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 [image: Mailtrack] <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> Sender notified by Mailtrack <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> 02/09/19, 2:41:41 PM
BN.in
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BN_cubic.in
Description: Binary data
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