Hi everyone,
I'm completely new to using Materials Studio and its CASTEP module, and I would really appreciate some guidance. I’m interested in learning how to run basic calculations but don’t know where to start. Specifically, I need help with:
- Basic setup and workflow for a CASTEP calculation (e.g., structural optimization, electronic properties).
- Key parameters to adjust for accuracy (such as cutoff energy, k-points).
- Recommendations for tutorials or training resources (videos, documentation, or guides) to get a deeper understanding of how CASTEP works.
Any help or resources for someone just starting out with DFT calculations in CASTEP would be greatly appreciated.
Thanks.
