What does this error mean and how to resolve it?
Your SCF failed to converge in 50 iterations.
(1) Increase MAX_SCF_CYCLES
(2) Tighten thresholds (THRESH and S2THRESH)
(3) Use a better guess (perhaps BASIS2), or a different SCF_ALGORITHM
Your SCF failed to converge in 50 iterations.
(1) Increase MAX_SCF_CYCLES
(2) Tighten thresholds (THRESH and S2THRESH)
(3) Use a better guess (perhaps BASIS2), or a different SCF_ALGORITHM