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Author Topic: Slater-Koster MoS2  (Read 5093 times)

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Offline ams_nanolab

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Slater-Koster MoS2
« on: July 4, 2012, 10:31 »
Is it possible to find out the Slater-Koster matrix elements for monolayer MoS2 from ATK? I have read in some references that the matrix elements for such a system can be extracted from VASP or SIESTA, can we do something like that from ATK? ???  ???
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Offline kstokbro

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Re: Slater-Koster MoS2
« Reply #1 on: July 4, 2012, 12:52 »
You can get DFTB slater-koster parameters for MOS2, check
http://www.quantumwise.com/publications/tutorials/builder/177-mos2-nanotubes
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