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OutputMEMultipoles

Section Output
Type integer
Default 1

This variable decides which multipole moments are printed out for OutputMatrixElements = ks_multipoles:

In 3D, if, for example, OutputMEMultipoles = 1, then the program will print three files, ks_me_multipoles.x (x=1,2,3), containing respectively the (1,-1), (1,0) and (1,1) multipole matrix elements between Kohn-Sham states.

In 2D, this variable is ignored: it will always print two files, ks_me_multipoles.i (i=1,2), containing the $x$ and $y$ dipole matrix elements.

In 1D, if, for example, OutputMEMultipoles = 2, the program will print two files, containing the $x$ and $x^2$ matrix elements between Kohn-Sham states.

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