论文标题
密度功能理论的实用介绍
A Practical Introduction to Density Functional Theory
论文作者
论文摘要
这些讲义说明了使用开源量子浓缩咖啡软件对晶体进行密度功能理论计算的简要介绍。该水平针对正在研究理论或实验性固态物理学或固态物理学的研究生。
These lecture notes contain a brief practical introduction to doing density functional theory calculations for crystals using the open source Quantum Espresso software. The level is aimed at graduate students who are studying condensed matter or solid state physics, either theoretical or experimental.
