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Manual Pseudopotentials and orbitals Examples



Chapter 4 Main Features and Functionalities


As a comprehensive first-principles computational package, ABACUS has many keywords. Most of them have default values and the users don’t have to set explicitly themselves. A complete list of keywords are given in the Appendix. Here we summarize the most relevant keywords that the users should know about, and explain how to set up the input files according to the features and functionalities of the code.



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