论文标题
Maggene：磁性结构预测的遗传进化计划
MagGene: A genetic evolution program for magnetic structure prediction
论文作者
论文摘要
我们已经开发了一种软件maggene来使用遗传算法来预测磁性结构。从原子结构开始，Maggene反复生成新的磁性结构，并调用第一原理计算引擎以获得最稳定的结构。该软件适用于共线和非共线系统。在预测具有强旋转轨道耦合和/或强旋转挫败感的原子系统的磁性结构方面特别方便。
We have developed a software MagGene to predict magnetic structures by using genetic algorithm. Starting from an atom structure, MagGene repeatedly generates new magnetic structures and calls first-principles calculation engine to get the most stable structure. This software is applicable to both collinear and noncollinear systems. It is particularly convenient for predicting the magnetic structures of atomic systems with strong spin-orbit couplings and/or strong spin frustrations.
