To perform the estimation of one-phase seminvariants via the first representation.
NRS1 n
The number of the strongest reflections to use for one-phase seminvariants search. Default value = number of strongest reflections chosen by normalization routine (max 350).
LIST
Print the list of the strongest reflections to use for one-phase seminvariants search.
NUMK n
The number of free-vectors used by the second
representation formula for the one-phase seminvariants.
The default value is computed according to the structural
complexity:
n = min ( natom/msym + 40, 100 )
NRS2 n
n is the number of the strongest reflections to use for two-phase seminvariants search. Default value = number of strongest reflections chosen by normalization routine (max 350).