Quantum Espresso for Beginner: Resources Collection/Review

When I had started learning the basics behind Quantum Espresso, I had come across some very useful resources. Most of them are from Quantum Espresso Tutorial available on the Quantum espresso website and YouTube.

For a beginner, I would like to recommend this amazing seminar by Astrid Marthinsen

Here she has beautifully explained all the basics one needs to start working with Quantum Espresso.

There are some GUIs available for Quantum Espresso in both windows & Ubuntu operating system 

1. BURAI 
2. PWgui


If you are just starting to learn Quantum Espresso then as per my experience BURAI  can be a good place to start because here you can get some simpler system with auto-generated input file to start with. So here you will not face any error due to directory or Pseudopotential etc (Unlike PWgui), which may be difficult to deal with initially so you can fully concentrate on learning the input file structure only.

I had found this YouTube channel (Phys Whizto be a great place to be familiar with BURAI and learn the Quantum Espresso Input file for simpler systems.

You can start with this playlist

After learning here the basic input file you can again try it with PWgui.
Learning PWgui is important since BURAI has very little functionality and a heavy GUI i.e. computationally expensive to run the bigger system.




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