Show Posts
1
General Questions and Answers / 3D-material mobility
« on: November 15, 2018, 13:13 »
Hi,
I have already read the tutorial and accomplished calculating the mobility of graphene and some other 2D-materials. Recently my supervisor required me to calculate a 3D-material’s mobility and I was wondering if the electron-phonon-coupling calculation should contain k- and q-points on z-axis. If so, our computer can’t handle so many points. Hence, how should I calculate 3D-material's mobility?
Besides, I also want to know how to judge if the k- and q-points are big and dense enough?
thanks
I have already read the tutorial and accomplished calculating the mobility of graphene and some other 2D-materials. Recently my supervisor required me to calculate a 3D-material’s mobility and I was wondering if the electron-phonon-coupling calculation should contain k- and q-points on z-axis. If so, our computer can’t handle so many points. Hence, how should I calculate 3D-material's mobility?
Besides, I also want to know how to judge if the k- and q-points are big and dense enough?
thanks