Hi all:
i saw the notes "Why are so many k-points needed in the transport direction in a device calculation?"
and there is a sentence "Now, clearly you will only get perfect transmission in this system if HL=HR=HCR. To obtain this, the same k-point sampling should be used in the A and B directions in the electrode and the open boundary condition calculation",
i do not very understand why the K-Point sampling in the A and B directions?
for example, in my device, the electrode cell lattice is 15 angstrom in the x direction, 45 angstrom in the y direction, the lattice in the x and y direction are different, so when i relaxed the central region geometry as a device, how to set the the k-sample, also should set the same k-sampling in the x and y direction? if so, i think it is some strange!
or? only calculate the transmission spectrum, i should set the same k-sampling in the x and y direction?
i need your help!
thanks very much!!