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BAND <INTEGER> | |
Iteration level for the Band Calculation Steps | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
BSSE <INTEGER> | |
Iteration level for the Basis Set Superposition Error (BSSE) Calculation | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
CELL_OPT <INTEGER> | |
Iteration level for the Cell optimization steps. | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
EP_LIN_SOLVER <INTEGER> | |
Iteration level for the Energy Perturbation (EP) linear solver | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
GEO_OPT <INTEGER> | |
Iteration level for the Geometry optimization steps. | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
JUST_ENERGY <INTEGER> | |
Iteration level for an ENERGY/ENERGY_FORCE calculation. | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
MD <INTEGER> | |
Iteration level for the MD steps. | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
METADYNAMICS <INTEGER> | |
Iteration level for the METADYNAMICS steps (number of hills added). | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
POWELL_OPT <INTEGER> | |
Iteration level for POWELL based optimization steps. | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
QS_SCF <INTEGER> | |
Iteration level for the SCF Steps. | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 20 |
REPLICA_EVAL <INTEGER> | |
Iteration level for the evaluation of the Replica Environment | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
ROT_OPT <INTEGER> | |
Iteration level for the Rotational optimization steps in the Dimer Calculation. | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
SHELL_OPT <INTEGER> | |
Iteration level for the Shell-Core distances optimization steps | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
SPLINE_FIND_COEFFS <INTEGER> | |
Iteration level for the solution of the coefficients of the splines | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
XAS_SCF <INTEGER> | |
Iteration level for the X-Ray Absorption Spectroscopy (XAS) SCF Steps. | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
__ROOT__ <INTEGER> | |
Iteration level for __ROOT__ (fictitious iteration level) | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 1 |
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