SCFConvergenceError

exception psi4.driver.SCFConvergenceError(eqn_description, iteration, wfn, e_conv, d_conv)[source]

Bases: psi4.driver.p4util.exceptions.ConvergenceError

Error called for problems with SCF iterations.

Parameters:
  • wfn (psi4.core.Wavefunction) – Wavefunction at time of exception
  • e_conv (float) – Change in energy for last iteration
  • d_conv (float) – RMS change in density for last iteration
args
with_traceback()

Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.