Default 1e-6 Ha
Convergence criterion for stopping the overall minimization of the energy with respect to occupation numbers and the orbitals. The minimization of the energy stops when the total energy difference between two subsequent minimizations of the energy with respect to the occupation numbers and the orbitals is smaller than this criterion. It is also used to exit the orbital minimization.
scf/rdmft.F90 : 172
call parse_variable(namespace, 'RDMConvEner', CNST(1.0e-7), rdm%conv_ener)
Featured in testfiles