A blog about MIt and my research
Hello, In this tutorial we will go over how to perform a band structure calculation in Quantum Espresso and then how to plot it in python. This tutorial assumes you use the following things: Quantum Espresso 5.3+ xcrysden python3.4+ Matplotlib Numpy The python requirements will only be if you want to use the plotting tools…
tl;dr: This python script generates many subplots based on a directories file. Download it here: DOS.Layered.zip Hello All, If you come here often for tutorials you may have seen some brief write ups on how to use dos.x and projwfc.x to generate pDOS data (here) or my python script to automatically generate a pDOS plot…
Hello All, I hope you are starting to enjoy summer as much as I am. This is a quick tutorial on how to read a cube file into a numpy array in python and integrate it. This was born out of a very unique problem I am having right now involving adding electrons to a…