- exception psi4.driver.SCFConvergenceError(eqn_description, iteration, wfn, e_conv, d_conv)[source]¶
Error called for problems with SCF iterations.
str) – Type of QC routine that has failed (e.g., SCF preiterations).
iteration (int) – Iteration number on which routine failed.
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.
Wavefunction at time of exception.