Difference between revisions of "Mat2axrh.m"
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Computes axiality and rhombicity of a symmetric 3x3 interaction tensor from the corresponding matrix. | Computes axiality and rhombicity of a symmetric 3x3 interaction tensor from the corresponding matrix. | ||
==Syntax== | ==Syntax== | ||
| − | [iso,ax,rh | + | [iso,ax,rh]=mat2axrh(M) |
==Arguments== | ==Arguments== | ||
| − | M - a real symmetric 3x3 matrix | + | M - a real symmetric 3x3 matrix |
==Outputs== | ==Outputs== | ||
| − | iso - isotropic part of the interaction, defined as | + | iso - isotropic part of the interaction, defined as |
(xx+yy+zz)/3 in terms of eigenvaues | (xx+yy+zz)/3 in terms of eigenvaues | ||
| − | + | ||
ax - interaction axiality, defined as zz-(xx+yy)/2 | ax - interaction axiality, defined as zz-(xx+yy)/2 | ||
in terms of eigenvalues | in terms of eigenvalues | ||
| − | + | ||
rh - interaction rhombicity, defined as (xx-yy) in | rh - interaction rhombicity, defined as (xx-yy) in | ||
terms of eigenvalues | terms of eigenvalues | ||
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==Notes== | ==Notes== | ||
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1. Eigenvalues [xx yy zz] are sorted in Mehring order, that is xx<=yy<=zz. | 1. Eigenvalues [xx yy zz] are sorted in Mehring order, that is xx<=yy<=zz. | ||
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==See also== | ==See also== | ||
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[[axrh2mat.m]], [[spsk2mat.m]], [[anas2mat.m]], [[mat2sphten.m]], [[sphten2mat.m]] | [[axrh2mat.m]], [[spsk2mat.m]], [[anas2mat.m]], [[mat2sphten.m]], [[sphten2mat.m]] | ||
''Version 2.1, authors: [[Ilya Kuprov]]'' | ''Version 2.1, authors: [[Ilya Kuprov]]'' | ||
Revision as of 15:49, 5 April 2026
Computes axiality and rhombicity of a symmetric 3x3 interaction tensor from the corresponding matrix.
Contents
Syntax
[iso,ax,rh]=mat2axrh(M)
Arguments
M - a real symmetric 3x3 matrix
Outputs
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
Notes
1. Eigenvalues [xx yy zz] are sorted in Mehring order, that is xx<=yy<=zz.
2. Euler angles are not returned because the transformation in question is ill-defined.
See also
axrh2mat.m, spsk2mat.m, anas2mat.m, mat2sphten.m, sphten2mat.m
Version 2.1, authors: Ilya Kuprov
