Dear QuantumWise staff:
i calculate the Blochstate and Eigenstate of Bulk, they are different. i guess the Eigenstate of the Bulk is calculated no interactions across the unit cell boundaries, it means that eigenstate of Bulk is same to the molecule without boundaries. is that right?
another problem:
My system is graphene, I have calculated the band structure with the route (G, Z), i want to calculate the bloch state at the Z point with certain kx,ky,kz. How i can choose the Z point using the blochstate calculator within VNL?
is that Z=(0,0,0.5)
Regards
