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Here is a link where people describe how one can generate the entries of the Slater Koster parameter table seen here as Table of interatomic matrix elements.

The authors mention Mathematica packages one can use to generate these table entries, namely factor.m and wigner.m. However, since this paper is rather old I was wondering if there is a nice way to generate these table elements with Mathematica today without the need for external packages. Because as it is right now I hard-coded the entire table -.- .

NOhs
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  • I think the paper you are referring to is here: http://www.sciencedirect.com/science/article/pii/S002199918471014X , and, yes, most certainly their use of Mathematica is out of date by 20 years - but it looks a bit more complicated than I can go into without needing it for my own work. – Jason B. Aug 10 '15 at 11:48
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    This paper is ten years younger: http://journals.aps.org/prb/abstract/10.1103/PhysRevB.69.233101 , but the link they provide for their code is dead. It looks like the main author of that paper, Prof. Vogl, retired last year, so you could probably email him directly and ask for the code. Either use the email in the paper or the one from the university web page: http://www.professoren.tum.de/en/vogl-peter/ – Jason B. Aug 10 '15 at 11:49
  • @Jason, what if you try looking up their page in the Wayback Machine? – J. M.'s missing motivation Aug 10 '15 at 12:05
  • That's a good idea - the page is there, but when you try to follow the link "Mathematica code in HTML format" it shows the crawler received an error. – Jason B. Aug 10 '15 at 12:10

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