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3 votes

Generating a plot of the Hartree potential in a certain direction

This can indeed be done with the sisl package. There are multiple ways to use the utilies shipped with sisl. And do note, the utility can parse any files that ...
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4 votes

Transiesta, not converging with semi-conductor electrodes

Transiesta relies on the fact that the electrode Fermi-levels are well-defined. One cannot simply use semi-conductors as electrodes for NEGF calculations. The problem arises because of the screening ...
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