Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.
Not all commands and variables in Qball match with those in Qbox. So, is there any documentation of all differences? If not, I can help
Example, I don't understand the second argument of "threshold_scf"