diff --git a/README.md b/README.md index 18d989e..d9eb7ef 100644 --- a/README.md +++ b/README.md @@ -64,6 +64,8 @@ Then, browse the `examples` folder to explore and run the example notebooks: [![Open in GitHub Codespaces](https://github.com/codespaces/badge.svg)](https://codespaces.new/PhasesResearchLab/dfttk?quickstart=1) +The Configuration examples involve running VASP workflows. These require a system with VASP installed (typically an HPC environment) and cannot be executed in GitHub Codespaces. + | Notebooks | Description | |--------------|-------------| | DebyeGruneisen | Compute and plot vibrational contributions to the Helmholtz energy using the Debye–Grüneisen model for Al | @@ -71,7 +73,7 @@ Then, browse the `examples` folder to explore and run the example notebooks: | Configuration | Orchestrate VASP workflows to compute all contributions to $F_k$, with post-processing, plotting, and MongoDB storage for Al and Fe3Pt| ## Documentation -For a comprehensive description of **DFTTK** and its capabilities, please refer to the [Official Documentation](https://www.dfttk.org/en/main/). +For a more comprehensive description of DFTTK and its capabilities, please refer to the [Official Documentation](https://www.dfttk.org/en/main/). > **Note:** The documentation is currently under construction. Some sections may be incomplete or subject to change.