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Offline issac7

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SK TB models
« on: October 17, 2023, 08:39 »
Dear sir,
      Can i perform a next-nearest-neighbor or third-nearest-neighbor hopping calculation by specifying the hopping energy v.s. distance in Slater-Koster tight-binding models using ATK? Or it is just limited to the nearest form in Slater-Koster Table?
      Looking forward to ur reply.

Best,
issac7
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Offline Anders Blom

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Re: SK TB models
« Reply #1 on: October 24, 2023, 01:44 »
You can have any dependence of the matrix elements as function of distance, see the examples in https://docs.quantumatk.com/manual/Types/SlaterKosterCalculator/SlaterKosterCalculator.html#usage-examples
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