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I'm doing some calculations on transiesta and I know that using semiconductors as electrode is not normally possible due to the extremely big systems I would...
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https://mattermodeling.stackexchange.com/questions/14772/how-may-i-construct-a-doubly-augmented-basis-set
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I am attempting to replicate the calculations for the oxygen atom presented in Klopper's paper: Sub-meV accuracy in first-principles computations of the...
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https://mattermodeling.stackexchange.com/questions/14802/geometry-of-the-gate-in-siesta
Geometry of the gate in Siesta - Matter Modeling Stack Exchange
From previous questions 1, it was discussed the possibility of including a gate with: %block Geometry.Charge plane 1. # The charge on the geometry delta # type...
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