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ConvEnergy
ConvEnergy
Section SCF::Convergence
Type float
Default 0.0
Stop the SCF when the magnitude of change in energy during at
one SCF iteration is smaller than this value.
If this criterion is used, the SCF loop will only stop once it is
fulfilled for two consecutive iterations.
Source information
scf/criteria_factory.F90 : 70
call parse_variable(namespace, 'ConvEnergy', M_ZERO, conv_energy_diff, unit = units_inp%energy)