https://github.com/romerogroup/pyprocar
Tip revision: 9df128945aeacab512ae623501a50264ce69579e authored by Uthpala Herath on 21 April 2020, 14:22:20 UTC
Elk spin colinear calculations and plotting spin up and spin down plots without needing to filter
Elk spin colinear calculations and plotting spin up and spin down plots without needing to filter
Tip revision: 9df1289
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: