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Accuracy and convergence, RESPONSE key
RESPONSE
 erralf 1e-6
 erabsx 1e-6
 errtmx 1e-6
 ncycmx 30
END

erralf, erabsx, errtmx

The subkeys erralf, erabsx, errtmx determine the convergence criteria for a polarizability calculation. The strict defaults are shown. It is rarely necessary to change the defaults, as these are rather strict but do not lead to many iterations.

ncycmx

The maximum number of attempts within which the algorithm has to converge. The default appears to be adequate in most cases.

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