Researchers from MAGNIFIC (Dr. Coll-Benejam and Dr. Pruneda) have participated in the organization of a “CECAM flagship school” on SIESTA, an atomistic first-principles code that is being used in MAGNIFIC to study electronic, thermal and optical properties of nc-Si.

The school was aimed at students and researchers from different disciplines in materials science who use, or plan to use, the SIESTA package. The students learned its essential theoretical foundations, and how to use the SIESTA code effectively (parallelization and new, more efficient, solvers).

Pre- and post-processing tools, as well as advanced features, such as the computation of quantum transport using the non-equilibrium Green’s function approach were introduced.