声子计算的几种方法: Practical schemes for phonon calculations (见castep说明) A good review of the existing schemes can be found in Baroni et al. (2001). The theoretical study of phonon properties has to rely on one of the three available methods for determining the force con ...
http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list 下面是从其他网站转的,读过后,对wyckoff position 可以有大致的了解了。 Space Groups The International Tables for Crystallography From examination of a space group in “The International Tables for Crystallography ...
博文转自 https://segmentfault.com/a/1190000007916299 1、 at 命令 at 从文件或标准输入中读取命令并在将来的一个时间执行,只执行一次。 at 的正常执行需要有守护进程 atd (关于systemctl请看 这一篇 ): #安装atyuminstall-yat或apt-getinstallat-y#启动守护进 ...