4. Examples

Find more examples in the eminus-benchmarks repository.

Examples

• 4.1. Installation test
• 4.2. Minimal example
• 4.3. The Atoms object
• 4.4. DFT calculations
• 4.5. Input and output
• 4.6. Advanced functionalities
• 4.7. FOD and FLO generation
• 4.8. Visualization
• 4.9. SIC calculations
• 4.10. Domain generation
• 4.11. Germanium solid
• 4.12. Wannier localization
• 4.13. Geometry optimization
• 4.14. Custom functionals 1
• 4.15. Custom functionals 2
• 4.16. FOD optimization
• 4.17. Reduced density gradient
• 4.18. k-points
• 4.19. Band structures
• 4.20. Smeared occupations