种姓
编码（集合论）
计算机科学
程序设计语言
密度泛函理论
计算化学
化学
集合（抽象数据类型）
作者
Stewart J. Clark,Matthew Segall,Chris J. Pickard,P. J. Hasnip,Matt Probert,Keith Refson,M. C. Payne
出处
期刊：Zeitschrift für Kristallographie
[De Gruyter]
日期：2005-05-01
卷期号：220 (5-6): 567-570
被引量：12330
标识
DOI：10.1524/zkri.220.5.567.65075
摘要
Abstract The CASTEP code for first principles electronic structure calculations will be described. A brief, non-technical overview will be given and some of the features and capabilities highlighted. Some features which are unique to CASTEP will be described and near-future development plans outlined.
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