https://github.com/romerogroup/pyprocar
Tip revision: cdc0f9e2a0dfc9f914b0a6e0304b44b747107a7c authored by uthpalah on 12 June 2019, 02:56:57 UTC
Parse old PROCAR format capability
Parse old PROCAR format capability
Tip revision: cdc0f9e
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 a grid size of 0.02:
General format::
pyprocar.generate2dkmesh(x1,y1,x2,y2,grid_size)
Usage::
pyprocar.generate2dkmesh(-0.5,-0.5,0.5,0.5,0.02)