QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on July 4, 2012, 10:31

Title: Slater-Koster MoS2
Post by: ams_nanolab 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? ???  ???

Title: Re: Slater-Koster MoS2
Post by: kstokbro 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