A. You will learn how to set the crystal with a certain Miller Index orientation using the ‘CLEAVE’ menu, and how to create an isolated system using the ‘VACUUM’ menu in the blog post and video below.
- [MatSQ Tip] Module Utilization Tip: Surface Modeling to Certain Orientation
- [Materials Square] How to Cleave the Crystal | Structure Builder - Cleave
- [Materials Square] Isolated Structure Modeling in PBC | Structure Builder - Vacuum
For surface details, please refer to the post:
How to Create Surface under Periodic Boundary Condition: Slab