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zerothi / sisl

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
https://zerothi.github.io/sisl
Mozilla Public License 2.0
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NEGF contours from sisl #122

Open zerothi opened 5 years ago

zerothi commented 5 years ago

Create NEGF contours as TS does it, this would enable extensive inputs for transiesta and tbtrans for optimal contours and also allow researchers to experiment.

zerothi commented 4 years ago

See https://github.com/nschloe/quadpy/issues/250 where I posted a working solution (to be simplified and beautified :)