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Anonymous

code crashes when 8nm triangular cross section nanowires are entered

code crashes when 8nm triangular cross section nanowires are entered crashes both in the electronic structure calculation as well as charge-selfconsistent calculation. Error message in the Output Log states:

Filling the Boundary ConditiHamiltonian Matrices Filling the Hamiltonian Matrix rm_1_1_1372: ……

A more graceful crash is needed. Instead of the input deck showing up first in a crash, the error message – output log should show up.

  1. tool:bandstrlab

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    Abhijeet Paul

    This problem has been fixed with version 2.0.3.

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    Abhijeet Paul

    Thanks for bringing this to our notice. We are working on updating the code so few things can be unstable. We are working to fix these issues.

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    Abhijeet Paul

    This problem has been fixed in the new version which we will release in a day or two after few more checks.

    Thanks

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