k-mesh generator

This utility can be used to generate a 2D \(k\)-mesh centered at a given \(k\)-point and in a given \(k\)-plane. This is particularly useful in computing 2D spin-textures and plotting 2D Fermi-surfaces. For example, the following command creates a 2D \(k_{x}\)-\(k_{y}\) -mesh centered at the \(\Gamma\) point (\(k_{z}= 0\)) ranging from coordinates (-0.5, -0.5, 0.0) to (0.5, 0.5, 0.0) with 5 grids in the x direction and 7 grids in the y direction:

General format:

pyprocar.generate2dkmesh(x1,y1,x2,y2,z,num_grids_x,num_grids_y)

Usage:

pyprocar.generate2dkmesh(-0.5,-0.5,0.5,0.5,0,5,7)

This information is automatically written to a KPOINTS file.

pyprocar.scriptKmesh2D.generate2dkmesh(x1, y1, x2, y2, z, nkx, nky)

This module generates a KPOINTS mesh file for 2D plotting.