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clarify the usage of skip_relax in init_surf #929

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Sep 1, 2022
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clarify the usage of skip_relax in init_surf #929

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8 changes: 6 additions & 2 deletions doc/init/init_surf.md
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Expand Up @@ -6,8 +6,12 @@ You may prepare initial data for surface systems with VASP by:
dpgen init_surf PARAM [MACHINE]
```
The MACHINE configure file is optional. If this parameter exists, then the optimization
tasks or MD tasks will be submitted automatically according to MACHINE.json.

tasks or MD tasks will be submitted automatically according to MACHINE.json. That is to say, if one only wants to prepare `surf-xxx/sys-xxx` folders for the second stage but wants to skip relaxation, `dpgen init_surf PARAM` should be used (without `MACHINE`).
"stages" and "skip_relax" in `PARAM` should be set as:
```json
"stages": [1,2],
"skip_relax": true,
```

Basically `init_surf` can be divided into two parts , denoted as `stages` in `PARAM`:
1. Build specific surface in folder `00.place_ele`
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