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.
Nguyen Tuan Hung & Ahmad R.T. Nugraha
Quantum ESPRESSO Course for Solid-State Physics [PDF ebook]
Quantum ESPRESSO Course for Solid-State Physics [PDF ebook]
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语言 英语 ● 格式 PDF ● 网页 372 ● ISBN 9781000589764 ● 出版者 Jenny Stanford Publishing ● 发布时间 2022 ● 下载 3 时 ● 货币 EUR ● ID 8732608 ● 复制保护 Adobe DRM
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