2D slab InAs

[Misha111]

Hello! Why is the bandstructere calculated with Y, G, X indexes rather than G, Z in the direction of quantization in the "[https://docs.quantumwise.com/tutorials/inas_2d_mgga/inas_2d_mgga.html]" tutorial? what determines the choice of k-point sampling to 7, 7, 7?

[Petr Khomyakov]

Hello! Why is the bandstructere calculated with Y, G, X indexes rather than G, Z in the direction of quantization in the "[https://docs.quantumwise.com/tutorials/inas_2d_mgga/inas_2d_mgga.html]" tutorial?

Because there is no periodicity in the quantization direction. I would suggest reading some textbook on Solid State Physics, e.g., by Ashcroft and Mermin, for having a better understanding of band structure  concept.

The k-point sampling is to be chosen to achieve convergence of the physical quantity of study (e.g., band structure) with respect to the number of k-points in the Brillouin zone. The tolerance for the physical quantity convergence is set by the user, depending on the required accuracy.

[Misha111]

thanks for the answer