How to model Cu (100) surface with BURAI? [TUTORIAL]

In this step-by-step detailed guide, I walk you through the building of Copper / Cu FCC (100) surface lab with 4 layers. I utilize a web app that I created to download the CIF file of the conventional unit cell. One should always use the conventional unit cell when modeling a surface from Miller indices. Next, I import it in BURAI and use the modeling feature to create a 100 surface slab and increase its thickness to 4 layers. ----------------------------------------------------------------------------------------------------------------------------------------------- Useful links: RIPER Tools Web App: https://ripertools.turbomole.org/ BURAI Tutorials: https://www.youtube.com/watch?v=Zvj79g3UiaU&list=PLUhYFZgYOn8fS5zeNNWF66YU1nZuGltjz BURAI documentation: https://burai.readthedocs.io/en/latest/ BURAI Website: https://nisihara.wixsite.com/burai Copper FCC Conventional Unit Cell CIF: https://www.bragitoff.com/wp-content/uploads/2024/12/conventional_unit_cell_Copper_FCC.cif Quantum ESPRESSO Input File of Cu (100) Surface Slab: https://www.bragitoff.com/wp-content/uploads/2024/12/Cu_100_QE_input.txt Cu 100 Surface CIF File: https://www.bragitoff.com/wp-content/uploads/2024/12/Cu-100-Surface.cif ----------------------------------------------------------------------------------------------------------------------------------------------- Links from literature: [1] https://link.springer.com/article/10.1007/s10853-020-04459-z [2] https://journals.aps.org/prb/abstract/10.1103/PhysRevB.81.075430 [3] https://pubs.rsc.org/en/content/articlelanding/2011/cp/c1cp21873e/unauth [4] https://pubs.acs.org/doi/full/10.1021/la063097x [5] https://www.sciencedirect.com/topics/engineering/cu-surface ----------------------------------------------------------------------------------------------------------------------------------------------- Connect with Me: Website: https://manas.bragitoff.com LinkedIn: https://www.linkedin.com/in/manassharma07/ Twitter: https://x.com/ManasSharma07