diff --git a/source/Tutorials/DP-GEN/learnDoc/DP-GEN_handson.md b/source/Tutorials/DP-GEN/learnDoc/DP-GEN_handson.md index 0d58586..d2782f6 100644 --- a/source/Tutorials/DP-GEN/learnDoc/DP-GEN_handson.md +++ b/source/Tutorials/DP-GEN/learnDoc/DP-GEN_handson.md @@ -722,6 +722,16 @@ Prepare the following files in a separate folder. │ ├── mp-3034 ``` **IMPORTANT!** The ID number, mp-3034, is in the line with Material Project ID for Al-Mg-Cu. + +In order to harness the benefits of `pymatgen` combined with Material Project to generate files for calculation tasks by mp-ID automatically, you are supposed to add the API for Material Project in the `.bashrc`. + +You can do that easily by running this command. +```bash +vim .bashrc +// add this line into this file, `export MAPI_KEY="your-api-key-for-material-projects"` +``` +If you have no ideas about api-key for material projects, please refer to this [link](https://materialsproject.org/api#:~:text=API%20Key,-Your%20API%20Key&text=To%20make%20any%20request%20to,anyone%20you%20do%20not%20trust.). + - machine.json is the same with the one used in `init` and `run`. For more information about it, please check this [link](https://bohrium-doc.dp.tech/#/docs/DP-GEN?id=步骤3:准备计算文件). - relaxtion.json