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update dos
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Chentao168 committed Apr 22, 2024
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6 changes: 2 additions & 4 deletions README.md
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Expand Up @@ -55,8 +55,7 @@ ABACUS 网站访问:
](https://nb.bohrium.dp.tech/detail/52882361357)<mark style="color:red;"></mark><a href="https://nb.bohrium.dp.tech/detail/52882361357" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
4. 结构优化:[ABACUS 使用教程|结构优化](https://nb.bohrium.dp.tech/detail/9119461238)<a href="https://nb.bohrium.dp.tech/detail/9119461238" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
5. [ABACUS 的平面波计算与收敛性测试](abacus-pw.md)
6. [结合 ABACUS 和 Atomkit 计算态密度和能带](abacus-dos.md)
7. 分子动力学:[ABACUS 分子动力学使用教程](abacus-md.md)<a href="https://nb.bohrium.dp.tech/detail/2241262724" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
6. 分子动力学:[ABACUS 分子动力学使用教程](abacus-md.md)<a href="https://nb.bohrium.dp.tech/detail/2241262724" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
1. DeePKS方法
1. [DeePKS基础篇](https://nb.bohrium.dp.tech/detail/8742877753)<mark style="color:red;"></mark><a href="https://nb.bohrium.dp.tech/detail/8742877753" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
2. [DeePKS案例篇 + 增强采样](https://nb.bohrium.dp.tech/detail/7144731675)<mark style="color:red;"></mark><a href="https://nb.bohrium.dp.tech/detail/7144731675" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
Expand All @@ -72,8 +71,7 @@ ABACUS 网站访问:
6. [补偿电荷](abacus-surface6.md)
6. 分析结果
1. 能带计算
1. [<mark style="color:red;">如何正确画能带,NSCF读电荷密度</mark>](https://xmywuqhxb0.feishu.cn/docx/K8GRdTst4oXQNoxnQVbcFZTmntb)<mark style="color:red;"></mark>
2. [用ABACUS-ASE自动产生能带路径](https://nb.bohrium.dp.tech/detail/1211642609)<mark style="color:red;"></mark><a href="https://nb.bohrium.dp.tech/detail/1211642609" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
1. [结合 ABACUS 和 Atomkit 计算态密度和能带](abacus-dos.md)
2. PDOS计算
1. [<mark style="color:red;">ABACUS里怎样做DOS和PDOS计算</mark>](https://xmywuqhxb0.feishu.cn/docx/ONSldj82VoNGKSxaoDQcoKBtnGh)<mark style="color:red;"></mark>
7. 和其他软件对接
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2 changes: 1 addition & 1 deletion SUMMARY.md
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* [数值原子轨道(二):生成给定模守恒赝势的数值原子轨道](abacus-nac2.md)
* [数值原子轨道(三):产生高精度数值原子轨道](abacus-nac3.md)
* [ABACUS 的平面波计算与收敛性测试](abacus-pw.md)
* [结合 ABACUS 和 Atomkit 计算态密度和能带](abacus-dos.md)
* [ABACUS 分子动力学使用教程](abacus-md.md)
* [ABACUS 隐式溶剂模型使用教程](abacus-sol.md)
* [ABACUS 随机波函数DFT方法使用教程](abacus-sdft.md)
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* [采用 ABACUS 进行表面计算(四):表面缺陷能和吸附能计算](abacus-surface4.md)
* [采用 ABACUS 进行表面计算(五):外加电场](abacus-surface5.md)
* [采用 ABACUS 进行表面计算(六):补偿电荷](abacus-surface6.md)
* [结合 ABACUS 和 Atomkit 计算态密度和能带](abacus-dos.md)
* [ABACUS+Phonopy 计算声子谱](abacus-phonopy.md)
* [ABACUS+ShengBTE 计算晶格热导率](abacus-shengbte.md)
* [ABACUS+DPGEN 使用教程](abacus-dpgen.md)
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