An electronic structure software based on either plane wave basis or numerical atomic orbitals. (https://github.com/deepmodeling/abacus-develop)
为第一性原理软件开发新手提供向导,以国产密度泛函软件ABACUS为例入门,从认识代码到实现代码,从使用代码到开发代码,从下载代码到上传修改!
An electronic structure software based on either plane wave basis or numerical atomic orbitals. (https://github.com/deepmodeling/abacus-develop)