MAX_CPKS_ITERATIONS

The subkey MAX_CPKS_ITERATIONS determines the maximum number of iterations in the coupled-perturbed Kohn-Sham (CPKS) equations to be performed before stopping. The default value is 10. The iterations will halt before this value if the convergence criteria (see U1_ACCURACY below) is reached.

N
Maximum number of iterations in CPKS cycle

 

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