[DFTB-Plus-User] Slater-Koster file for Si-B

n.salami at srbiau.ac.ir n.salami at srbiau.ac.ir
Tue Oct 15 10:00:52 CEST 2013

Dear users,

I want to calculate the transport properties of boron doped silicon
I didn't found Slater-Koster file for Si-B in www.dftb.org.
I want to write Si-B.skf according to the Format of the v1.0 Slater-Koster
files by using the reported parameters in the paper

"Direct calculation of Slater-Koster parameters: Fourfold-coordinated
silicon/boron phases"

A. K. McMahan and J. E. Klepeis

I read the the Format of the v1.0 Slater-Koster files but in comparable to
a typical file in www.dftb.org, I don't know to how I can write the
parameters of a/f paper in the Si-B.skf file, Could you guide me to solve
this problem, Please?

Tanks in advance,
Best Regards,
Nadia Salami

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