PSI4 Project Logo

DAMPING_PERCENTAGEΒΆ

The amount (percentage) of damping to apply to the orbital update procedure: 0 will result in a full update, 100 will completely stall the update. A value around 20 (which corresponds to 20% of the previous iteration’s density being mixed into the current iteration) can help in cases where oscillatory convergence is observed.

  • Type: double
  • Default: 0.0

Previous topic

CACHELEVEL

Next topic

DCFT_FUNCTIONAL

This Page