A blog about MIt and my research
A large part of computational material science is simply visualizing the input and output of our calculations. I use a variety of tools to do this including VESTA and Avogadro. While both have their strengths and weaknesses (VESTA is great for making publication-quality images, for example), Avogadro is very simple to use and quickly visualize…
tl;dc: I have fixed an error in the QE module. Check out the new version here: http://www.levilentz.com/Codes/QE.Index.py Hello All, As you know, I have been working on and constantly expanding my QE module as I need to. You can read about it here, and here, and here. I started it about a year ago when…
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….
Good morning all, Something that Quantum Espresso [pwscf] really bugs me is that it is annoyingly difficult program to generate a plot of the CBM or the VBM of a structure. This is something that programs like NwChem or GUASSIAN can do with a little switch. I created a little Python script that can generate…