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Next: 38.2.5 Omitting nuclear contributions Up: 38.2 Distributed multipole analysis Previous: 38.2.3 Linear molecules (LINEAR,   Contents   Index   PDF

38.2.4 Maximum rank of multipoles (LIMIT)


lmax is the highest rank of multipole that is to be calculated by the program. Default (and maximum) is 10 for the general program and 20 for the linear one. If name is specified, the limit applies only to multipole site name. 2018-06-19