ALGORITHMΒΆ
The algorithm to use for the density cumulant and orbital updates in the DCFT energy computation. Two-step algorithm (default) is usually more efficient for small systems, but for large systems the simultaneous algorithm is recommended. In the cases where the convergence problems are encountered (especially for highly symmetric systems) QC algorithm can be used.
- Type: string
- Possible Values: TWOSTEP, SIMULTANEOUS, QC
- Default: TWOSTEP