Difference between revisions of "Axrh2mat.m"
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==See also== | ==See also== | ||
[[eeqq2nqi.m]], [[castep2nqi.m]], [[euler2dcm.m]], [[xyz2dd.m]], [[spsk2mat.m]] | [[eeqq2nqi.m]], [[castep2nqi.m]], [[euler2dcm.m]], [[xyz2dd.m]], [[spsk2mat.m]] | ||
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''Version 2.8, authors: [[Ilya Kuprov]]'' | ''Version 2.8, authors: [[Ilya Kuprov]]'' | ||
Revision as of 12:22, 25 April 2026
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)/2
in terms of eigenvalues (Mehring order)
rh - interaction rhombicity, defined as (yy-xx) in
terms of eigenvalues (Mehring order)
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
Version 2.8, authors: Ilya Kuprov