Default 1e-7 Ha
Convergence criterion for stopping the occupation numbers minimization. Minimization is stopped when all derivatives of the energy wrt. each occupation number are smaller than this criterion. The bisection for finding the correct mu that is needed for the occupation number minimization also stops according to this criterion.
scf/rdmft.F90 : 150
call parse_variable(namespace, 'RDMTolerance', CNST(1.0e-7), rdm%toler)