MoS2 Bandstructure

[skg]

Hello sir,
I am trying to simulate the bandstructure of MoS2 at symmetry points: 'G', 'M', 'K', 'G' as shown in the mini tutorial in your website link http://quantumwise.com/publications/tutorials/mini-tutorials/167.
But the calculator is accepting only 'G' point and not accepting 'M', and 'K' point.
Kindly tell me how can I get the bandstrucutre as shown in the example in your website.

Thanks in advance.


Regards
Sanjay

[Anders Blom]

Don't follow the mini-tutorial too closely At one point we convert it to an orthorhombic supercell in order to compute the transmission spectrum, but to calculation the band structure you must keep the structure hexagonal (without making a supercell).