Interpolation of k-mesh for GW-BSE calculations
Posted: Wed Oct 28, 2015 6:54 pm
Hi there,
From my test GW-BSE calculations, it looks like that the k-mesh needs to be the same when going from the GW step to the BSE step. I am wondering if one can interpolate the k-mesh for BSE by using the original k-mesh of GW. For example, one first runs a GW calculation with a 12x12x1 mesh and then runs a BSE calculation with a 24x24x1 mesh. How do I do that?
Thanks and best regards,
huangj3
From my test GW-BSE calculations, it looks like that the k-mesh needs to be the same when going from the GW step to the BSE step. I am wondering if one can interpolate the k-mesh for BSE by using the original k-mesh of GW. For example, one first runs a GW calculation with a 12x12x1 mesh and then runs a BSE calculation with a 24x24x1 mesh. How do I do that?
Thanks and best regards,
huangj3