pwmat:demo:strucopt1
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| pwmat:demo:strucopt1 [2024/02/04 09:22] – 创建 pengge | pwmat:demo:strucopt1 [2026/07/30 04:09] (当前版本) – 外部编辑 127.0.0.1 | ||
|---|---|---|---|
| 行 1: | 行 1: | ||
| + | ~~DISCUSSION: | ||
| ====== Crystal Structure Optimization (only relax atomic position) ====== | ====== Crystal Structure Optimization (only relax atomic position) ====== | ||
| 行 18: | 行 19: | ||
| </ | </ | ||
| - | <WRAP round info> | + | <WRAP round info> |
| - atom.config file describles the cell box, atomic postitions, etc. | - atom.config file describles the cell box, atomic postitions, etc. | ||
pwmat/demo/strucopt1.1707038534.txt.gz · 最后更改: 2024/02/04 09:22 由 pengge