A blog about MIt and my research
Hello All, I wanted to provide another update on creating those cool plots that have both the band diagram with a cool pDOS plot next to it. This guide will build upon my previous guides that you may have found helpful. Check out my guide on pDOS plots here and my band diagram plot here….
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…
Updated version can be found here: https://blog.levilentz.com/?p=274 If you would just like to download this code to calculate the bandgap from the DOS, simply download these two files: 1 2 and run the python script in your quantum espresso directory. Continue reading for a description of how it works. Hello All! The past two weeks…
In my line of research, an important tool that we use is the so-called density of states of a system. This is a very important tool for detecting and predicting such properties of a system such as the band gap and other properties. One thing I hate doing is having to remember how to do…