diff --git a/doc/init/init_surf.md b/doc/init/init_surf.md index 31c57295a..4947207b7 100644 --- a/doc/init/init_surf.md +++ b/doc/init/init_surf.md @@ -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`