Axrh2mat.m

Converts axiality and rhombicity representation of a 3x3 interaction tensor into the corresponding matrix.

Syntax

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

Description

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.

Arguments

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

        ax  - interaction axiality, defined as zz-(xx+yy)/2
              in terms of eigenvalues

        rh  - interaction rhombicity, defined as (xx-yy) in
              terms of eigenvalues

       alp  - alpha Euler angle in radians

       bet  - beta Euler angle in radians

       gam  - gamma Euler angle in radians

Outputs

    M  - 3x3 matrix

Notes

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

See also

eeqq2nqi.m, castep2nqi.m, euler2dcm.m, xyz2dd.m

Version 2.1, authors: Ilya Kuprov