In the article linked below, there is a table listed tight binding hopping parameter obtained from DFT calculations, I want to know what method they used to get those results?
Thanks a lot!
http://dx.doi.org/10.1103/PhysRevB.84.195430
Bartosz Trzaskowski
The authors derived their own Hamiltonian for this paricular system based on tight binding method. My guess is that they implemented it in their own code and used it to obtain all results. The entire code is most likely not published anywhere.
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