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Which parameter set is suggested for the use of slater koster files for the band structure calculations of 2D Covalent Organic Frameworks?
My system contains elements like , Si, O , C , N, H, F and B
Please can someone give me an insights on how the slater koster files effects the calculation of Band_gaps in any system?
I am new to DFTB+ and trying to learn DFTB for my research purpose.
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