Quantum ESPRESSO - Easy way to Use it for Research project and PhD: Quantum ESPRESSO - A tool for Ab-Initio and Density Functional Theory based Computational Approximation & Predictions

by Tara Prasad, Raddha Neupane (Editor)

In this book you will find detail Installation procedure for Windows OS and Ubuntu Linux and initial use of Quantum ESPRESSO. You will find to use it in your system with dual boot. You will know how to calculate DOS and Bands Structures using BURAI Graphical User Interface (GUI) as well as using other tools. Quantum ESPRESSO is an open-source software tool that is completely free. It is based on Density Functional Theory (DFT). It is the best alternative for a paid version of CASTEP, VASP etc. It is a more powerful tool than others as the user has more independence in this. In this book, you will find an easy method and way to understand the basics of Quantum ESPRESSO. You will learn how to practically apply in your Project. It is a very useful tool for Ph.D. Researchers and for Project Works of your Graduation or Post Graduation.

151 pages, Paperback

Published May 15, 2021