2025/04/08 15:01:50
FAQPlease check whether the answer to your question is given in the module manual or has been discussed in this forum previously!
Please check whether the answer to your question is given in the module manual or has been discussed in this forum previously!
目前PWmat中，RINGS处理分子动力学模拟运动轨迹获得MSD是直接考虑x/y/z三个维度一起的，那如何分开计算各方向的MSD，比如对二维材料如何只分析xy平面内的MSD？