Skip to content

Commit

Permalink
upload pdos
Browse files Browse the repository at this point in the history
  • Loading branch information
Chentao168 committed Oct 12, 2024
1 parent b606e7f commit cf7e3da
Show file tree
Hide file tree
Showing 84 changed files with 3,640 additions and 968 deletions.
2 changes: 1 addition & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -74,7 +74,7 @@ ABACUS 网站访问:
6. [补偿电荷](abacus-surface6.md)
10. 分析结果
1. 能带计算:[ABACUS+Atomkit 计算态密度和能带](abacus-dos.md)
2. PDOS计算:[<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>
2. PDOS计算:[ABACUS 计算 PDOS](abacus-pdos.md)
3. [ABACUS 输出部分的电荷密度和波函数及可视化教程](abacus-chg.md)
4. [ABACUS 计算电子局域函数 ELF 使用教程](abacus-elf.md)
11. 和其他软件对接
Expand Down
1 change: 1 addition & 0 deletions SUMMARY.md
Original file line number Diff line number Diff line change
Expand Up @@ -27,6 +27,7 @@
* [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)
* [ABACUS+Atomkit 计算态密度和能带](abacus-dos.md)
* [ABACUS 计算 PDOS](abacus-pdos.md)
* [ABACUS 输出部分的电荷密度和波函数及可视化教程](abacus-chg.md)
* [ABACUS 计算电子局域函数 ELF 使用教程](abacus-elf.md)
* [ABACUS+Phonopy 计算声子谱](abacus-phonopy.md)
Expand Down
61 changes: 37 additions & 24 deletions _book/abacus-bader.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-candela.html

Large diffs are not rendered by default.

43 changes: 28 additions & 15 deletions _book/abacus-chg.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-conv.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-dcu.html

Large diffs are not rendered by default.

43 changes: 28 additions & 15 deletions _book/abacus-dos.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-dpgen.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-elastic.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-elf.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-gcc.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-gpu-lcao.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-gpu.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-hpc.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-intel.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-libri.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-md.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-nac1.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-nac2.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-nac3.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-namd.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-ofdft.html

Large diffs are not rendered by default.

39 changes: 26 additions & 13 deletions _book/abacus-oneapi.html

Large diffs are not rendered by default.

Loading

0 comments on commit cf7e3da

Please sign in to comment.