https://github.com/romerogroup/pyprocar
Tip revision: 71e3362fd22ddb615dc42e464d9851910f7a871d authored by Uthpala Herath on 01 March 2020, 22:33:26 UTC
Discontinuous k-path band structure
Discontinuous k-path band structure
Tip revision: 71e3362
kmesh.rst
.. _labelkmesh:
k-mesh generator
================
This utility can be used to generate a 2D :math:`k`-mesh centered at a given :math:`k`-point and in a given :math:`k`-plane. This is particularly useful in computing 2D spin-textures and plotting 2D Fermi-surfaces. For example, the following command creates a 2D :math:`k_{x}`-:math:`k_{y}` -mesh centered at the :math:`\Gamma` point (:math:`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.
.. automodule:: pyprocar.scriptKmesh2D
:members: