Axrh2mat.m

Converts axiality and rhombicity representation of a 3x3 interaction tensor into the corresponding matrix. Isotropic part, axiality, and rhombicity are often seen in the literature. It is not a good way of reporting an interaction tensor (the original matrix is best), but it is still being used.

Syntax

    M=axrh2mat(iso,ax,rh,alp,bet,gam)

Parameters

       iso  - isotropic part of the interaction, defined as
              (xx+yy+zz)/3 in terms of eigenvaues

        ax  - interaction axiality, defined as 2*zz-(xx+yy)
              in terms of eigenvalues (Mehring order, that
              is xx<=yy<=zz)

        rh  - interaction rhombicity, defined as (yy-xx) in
              terms of eigenvalues (Mehring order, that is
              xx<=yy<=zz)

       alp  - alpha Euler angle in radians

       bet  - beta Euler angle in radians

       gam  - gamma Euler angle in radians

Outputs

    M  - 3x3 matrix

Notes

The inverse transformation (from matrix into axiality, rhombicity, and angles) is ill-defined.

See also

eeqq2nqi.m, castep2nqi.m, euler2dcm.m, xyz2dd.m, spsk2mat.m, anas2mat.m, ang2cgsppm.m, cgsppm2ang.m, conmat.m, dictum.m, dihedral.m, frac2cart.m, g2freq.m, gauss2mhz.m, ham2nqi.m, hartree2joule.m, hz2icm.m, hz2ppm.m, ias2mat.m, mat2axrh.m, mat2ias.m, mhz2gauss.m, mt2hz.m, offsetof.m, ppm2hz.m, tsm2param.m, zfs2mat.m, Kernel_utilities

Version 2.8, authors: Ilya Kuprov