summary_zeeman.m

Prints Zeeman interaction tensor summary for a Spinach system. The function prints the user-supplied header and then a table with one block per spin for which spin_system.inter.zeeman.matrix is not empty; spins with an empty Zeeman matrix are skipped. Each block occupies three lines, one for each row of the 3x3 Zeeman matrix, preceded on the first line by the spin number, the isotope name from spin_system.comp.isotopes and the multiplicity 2S+1 from spin_system.comp.mults. Alongside the second row of the matrix the table gives the isotropic part, computed as one third of the trace, and the 2-norms of the first-rank and second-rank parts of the tensor. The rank separation is done by decomposing the matrix into irreducible spherical tensor coefficients with mat2sphten.m and rebuilding the rank-one and rank-two components separately with sphten2mat.m. Consecutive spin blocks are separated by a line containing a single space, and printing goes through report.m. create.m calls this function with the header 'summary of Zeeman tensors and their anisotropies (ppm for nuclei, g-tensor for electrons)', at the point where the Zeeman tensors have been assembled but not yet converted into angular frequencies, so the printed numbers are in the units in which the user supplied them.

Syntax

    summary_zeeman(spin_system,header)

Parameters

    spin_system  - Spinach spin system description object

    header       - a string of text to precede the summary

Outputs

    this function prints to the console or to the user-specified
    output via report.m function

Notes

The first-rank part is the antisymmetric part of the Zeeman tensor, and the second-rank part is its traceless symmetric part. This is a service function of the Spinach kernel.

See also

create.m, report.m, mat2sphten.m, sphten2mat.m, summary_couplings.m, Kernel utilities

Version 2.13, authors: Ilya Kuprov