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__ROOT__ Iteration level for __ROOT__ (fictitious iteration level)
| This optional keyword expects an integer. Default value: 1
| JUST_ENERGY |
| JUST_ENERGY | Iteration level for an ENERGY/ENERGY_FORCE calculation.
| This optional keyword expects an integer. Default value: 1
| QS_SCF |
| QS_SCF | Iteration level for the SCF Steps.
| This optional keyword expects an integer. Default value: 20
| XAS_SCF |
| XAS_SCF | Iteration level for the X-Ray Absorption Spectroscopy (XAS) SCF Steps.
| This optional keyword expects an integer. Default value: 1
| MD |
| MD | Iteration level for the MD steps.
| This optional keyword expects an integer. Default value: 1
| METADYNAMICS |
| METADYNAMICS | Iteration level for the METADYNAMICS steps (number of hills added).
| This optional keyword expects an integer. Default value: 1
| GEO_OPT |
| GEO_OPT | Iteration level for the Geometry optimization steps.
| This optional keyword expects an integer. Default value: 1
| ROT_OPT |
| ROT_OPT | Iteration level for the Rotational optimization steps in the Dimer Calculation.
| This optional keyword expects an integer. Default value: 1
| CELL_OPT |
| CELL_OPT | Iteration level for the Cell optimization steps.
| This optional keyword expects an integer. Default value: 1
| BAND |
| BAND | Iteration level for the Band Calculation Steps
| This optional keyword expects an integer. Default value: 1
| EP_LIN_SOLVER |
| EP_LIN_SOLVER | Iteration level for the Energy Perturbation (EP) linear solver
| This optional keyword expects an integer. Default value: 1
| SPLINE_FIND_COEFFS |
| SPLINE_FIND_COEFFS | Iteration level for the solution of the coefficients of the splines
| This optional keyword expects an integer. Default value: 1
| REPLICA_EVAL |
| REPLICA_EVAL | Iteration level for the evaluation of the Replica Environment
| This optional keyword expects an integer. Default value: 1
| BSSE |
| BSSE | Iteration level for the Basis Set Superposition Error (BSSE) Calculation
| This optional keyword expects an integer. Default value: 1
| SHELL_OPT |
| SHELL_OPT | Iteration level for the Shell-Core distances optimization steps
| This optional keyword expects an integer. Default value: 1
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