* Hydrogen molecule [#ga16bb23] In this tutorial, how to execute pw.x and how to converge computational parameters, such as kinetic energy cutoff and box size are described. How to optimize the molecular geometry is also described. ** SCF calculation [#wcd8fa25] ** Convergence study [#g0f7b800] ** Optimizing the bond length (1) [#cd8a50a0] ** Optimizing the bond length (2) [#tad1e55c]