Difference between revisions of "Spsk2mat.m"
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==See also== | ==See also== | ||
| − | [[eeqq2nqi.m]], [[castep2nqi.m]], [[euler2dcm.m]], [[xyz2dd.m]], [[axrh2mat.m]] | + | [[eeqq2nqi.m]], [[castep2nqi.m]], [[euler2dcm.m]], [[xyz2dd.m]], [[axrh2mat.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 2.1, authors: [[Ilya Kuprov]]'' | ''Version 2.1, authors: [[Ilya Kuprov]]'' | ||
Latest revision as of 19:41, 6 June 2026
Converts the isotropic part, span, skew, and Euler angles of a 3x3 interaction tensor, in the Herzfeld-Berger convention, into the corresponding matrix; although this representation is still common in the literature, reporting the original matrix is usually clearer.
Syntax
M=spsk2mat(iso,sp,sk,alp,bet,gam)
Parameters
iso - isotropic part of the interaction, defined as
(xx+yy+zz)/3 in terms of eigenvaues
sp - interaction span, defined as the difference
between the largest and the smallest eigenvalue
sk - interaction skew, defined as 3*(yy-iso)/sp
where yy is the middle eigenvalue
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 span, skew, and angles) is ill-defined.
See also
eeqq2nqi.m, castep2nqi.m, euler2dcm.m, xyz2dd.m, axrh2mat.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 2.1, authors: Ilya Kuprov