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@@ -400,6 +400,7 @@ <h1 id="abacuscandela-使用教程"><a name="abacuscandela-& | |
| <p><strong>作者：陈涛，邮箱：[email protected]</strong></p> | ||
| <p><strong>审核：陈默涵，邮箱：[email protected]</strong></p> | ||
| <p><strong>最后更新时间：2023/08/23</strong></p> | ||
| <p><strong>在Bohrium Notebook上快速学习：</strong><a href="https://nb.bohrium.dp.tech/detail/2912697542" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" alt="Open In Bohrium"></a></p> | ||
| <h1 id="一、介绍"><a name="一、介绍" class="plugin-anchor" href="#一、介绍"><i class="fa fa-link" aria-hidden="true"></i></a>一、介绍</h1> | ||
| <p>本教程旨在介绍采用 Candela 分析 ABACUS（基于 3.2.4 版本）分子动力学轨迹，计算径向分布函数（Radial Distribution Function，简称 RDF），静态结构因子（Static Structure Factor，简称 SSF），离子-离子动态结构因子（Ion-ion Dynamic Structure Factor，简称 DSF）以及均方差位移（Mean Square Displacement，简称 MSD）流程。</p> | ||
| <p>上述性质的具体描述可以参考：<a href="https://iopscience.iop.org/article/10.1088/1361-648X/ab5890" target="_blank">Qianrui Liu <em>et al</em> 2020 <em>J. Phys.: Condens. Matter</em> <strong>32</strong> 144002</a>，径向分布函数（RDF）见文中公式（12），静态结构因子（SSF）见公式（13），离子-离子动态结构因子（DSF）见公式（15，16，17）以及均方差位移（MSD）见公式（18）。</p> | ||
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