Hands-on session. Converging the simulations

Updated May 2010

1. Convergence of electronic and structural properties of a metal with respect to the k-point sampling: bulk Al
   PowerPoint Version     pdf Version     Pseudos, input, and README
   
   
2. Convergence of energetic and structural properties of an insulator with respect to the k-point sampling: bulk BaTiO₃
   PowerPoint Version     pdf Version     Pseudos, input, and README
   
   
3. Convergence of the structural properties of a dipolar molecule with respect to the size of the supercell
   PowerPoint Version     pdf Version     Pseudos, input, and README
   
   
4. Convergence of the calculation with respect the MeshCutoff. The eggbox effect.
   PowerPoint Version     pdf Version     Pseudos, input, and README