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README.md

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3. \+U计算:[ABACUS使用DFT+U计算教程 |基础版
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](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>
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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>
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5. 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>
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4. DeePKS方法
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5. [ABACUS 的平面波计算与收敛性测试](abacus-pw.md)
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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>
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1. DeePKS方法
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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>
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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>
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5. [ABACUS 隐式溶剂模型使用教程](abacus-sol.md)
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6. 随机波函数密度泛函理论:[ABACUS 随机波函数DFT方法使用教程](abacus-sdft.md)<a href="https://nb.bohrium.dp.tech/detail/5915692245" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
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7. 无轨道密度泛函理论:[ABACUS 无轨道密度泛函理论方法使用教程](abacus-ofdft.md)<a href="https://nb.bohrium.dp.tech/detail/6416644691" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
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8. 采用ABACUS进行表面计算
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2. [ABACUS 隐式溶剂模型使用教程](abacus-sol.md)
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3. 随机波函数密度泛函理论:[ABACUS 随机波函数DFT方法使用教程](abacus-sdft.md)<a href="https://nb.bohrium.dp.tech/detail/5915692245" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
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4. 无轨道密度泛函理论:[ABACUS 无轨道密度泛函理论方法使用教程](abacus-ofdft.md)<a href="https://nb.bohrium.dp.tech/detail/6416644691" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
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5. 采用ABACUS进行表面计算
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1. [静电势和功函数](abacus-surface1.md)
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2. [偶极修正](abacus-surface2.md)
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3. [表面能计算](abacus-surface3.md)
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4. [表面缺陷能和吸附能计算](abacus-surface4.md)
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5. [外加电场](abacus-surface5.md)
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6. [补偿电荷](abacus-surface6.md)
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9. 分析结果
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6. 分析结果
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1. 能带计算
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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>
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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>
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2. PDOS计算
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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>
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10. 和其他软件对接
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7. 和其他软件对接
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1. [ABACUS+Phonopy 计算声子谱](abacus-phonopy.md)<a href="https://nb.bohrium.dp.tech/detail/8741867512" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
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2. [ABACUS+ShengBTE 计算晶格热导率](abacus-shengbte.md)<a href="https://nb.bohrium.dp.tech/detail/2712467526" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>
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3. [ABACUS+Phono3py 计算晶格热导率](https://nb.bohrium.dp.tech/detail/6116471155)<a href="https://nb.bohrium.dp.tech/detail/6116471155" target="_blank"><img src="https://cdn.dp.tech/bohrium/web/static/images/open-in-bohrium.svg" /></a>

SUMMARY.md

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* [数值原子轨道(一):ABACUS 中的数值原子轨道命名和使用方法](abacus-nac1.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)
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* [数值原子轨道(三):产生高精度数值原子轨道](abacus-nac3.md)
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* [ABACUS 的平面波计算与收敛性测试](abacus-pw.md)
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* [ABACUS 分子动力学使用教程](abacus-md.md)
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* [ABACUS 隐式溶剂模型使用教程](abacus-sol.md)
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* [ABACUS 随机波函数DFT方法使用教程](abacus-sdft.md)

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