Simba2805

Results 8 comments of Simba2805

Hello there, I am using VASP for DFT calculations. I tried to reproduce Rashba and Spin texture. For Spin texture, I created a 2D k-mesh using pyprocar.generate2dkmesh(-0.5,-0.5,0.5,0.5,0,5,7) and then used...

@ahromero But `kmesh2D` provides a KPOINTS file in the Reciprocal coordinates, right. Cartesian must be there.

Dear AKB-OU, Thank you so much for your kind response. I am using WT version 2.5.1. Now I understood why it is not generating "rho" files. I tried example Cu...

Thank You AKB, I got the correct plot for resistivities with your help. I look forward for the answers of 3rd and 4th points, if developers can make some comments.

Dear AKB, I have one more naive question for you. What if there are more than one bands. Do I need to calculate `rho` for each band separately? Or In...

Dear AKB, Thank you for the clarification. I was confused about the line written in the Notes section below the link you provided. There is written that we should sum...

Dear AKB, Thank you for your kind response. My system (2D slab) does not contain the z-components (xz, zx, yz, zy, and zz are zero). Only xx, yy, and xy...