integer :: max_cg_steps

The maximum number of conjugate gradient steps in an SCF cycle.

If not explicitly set in the parameter file, the value of this parameter depends on the value of the keyword ELECTRONIC_MINIMISER. The values of this parameter for each value of ELECTRONIC_MINIMISER are:

• SD : 0
• CG : 4
• RMM/DIIS : 2

If keyword ELECTRONIC_MINIMISER is not present in the parameter file, the default value will be 4.