Description
This book is a hands-on tutorial for using Quantum ESPRESSO, which is an open software of first-principles calculation for the electronic structure of materials. When we design a new material, the electronic-structure calculation is essential to discuss the origin of the physical properties of the material. Nowadays, many researchers can run Quantum ESPRESSO on personal computers without paying any cost of the software.
The book covers one-by-one the basic concepts for learning solid-state physics, including: geometry optimization, energy band dispersion, phonons, superconductivity, optical properties, and many others. It describes how to install, run, and understand the results of Quantum ESPRESSO. The book also covers some fundamental aspects of density-functional theory and solid-state physics.
Table of Contents
1. Introduction 2. Software Installation 3. Hands-On Tutorials of Quantum ESPRESSO 4. Density-Functional Theory 5. Solid-State Physics for Quantum ESPRESSO 6. Productivity Tools
-
- 電子書籍
- 婚約破棄だ、発情聖女。(コミック)【単…
-
- 電子書籍
- なめんなよ!(1) てんとう虫コミックス
-
- 電子書籍
- モフモフ残酷民話研究会【タテ読み】 第…
-
- 電子書籍
- サラリーマン金太郎【分冊版】132