Mat2axrh.m - Revision history

Kuprov: sync with Spinach main f053e432: corrected axiality 2*zz-(xx+yy) and rhombicity (yy-xx) definitions, added eigvals output

2026-08-30T06:03:57Z

sync with Spinach main f053e432: corrected axiality 2*zz-(xx+yy) and rhombicity (yy-xx) definitions, added eigvals output

Kuprov: Update function See also links and function index membership

2026-06-06T18:38:51Z

Update function See also links and function index membership

Kuprov: Rename Arguments section heading to Parameters

2026-06-05T17:50:24Z

Rename Arguments section heading to Parameters

Kuprov: Spot-edit Spinach function page first-line NOTOC and template fields

2026-06-05T17:28:17Z

Spot-edit Spinach function page first-line NOTOC and template fields

Kuprov: Normalise sequential blank lines

2026-04-25T11:27:27Z

Normalise sequential blank lines

Kuprov: Restore pre-bulk-edit wiki content

2026-04-05T14:49:20Z

Restore pre-bulk-edit wiki content

Kuprov: Sync syntax/arguments/outputs with current Spinach source

2026-04-05T14:03:35Z

Sync syntax/arguments/outputs with current Spinach source

Kuprov at 14:53, 3 January 2018

2018-01-03T14:53:12Z

Kuprov: Created page with "{{DISPLAYTITLE:function.m}} Computes axiality and rhombicity of a symmetric 3x3 interaction tensor from the corresponding matrix. ==Syntax== [iso,ax,rh]=mat2axrh(M) ==..."

2018-01-03T14:53:02Z

Created page with "{{DISPLAYTITLE:function.m}} Computes axiality and rhombicity of a symmetric 3x3 interaction tensor from the corresponding matrix. ==Syntax== [iso,ax,rh]=mat2axrh(M) ==..."

New page

{{DISPLAYTITLE:function.m}}
Computes axiality and rhombicity of a symmetric 3x3 interaction tensor from the corresponding matrix.

==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]]''

← Older revision		Revision as of 17:28, 5 June 2026
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−	{{DISPLAYTITLE:mat2axrh.m}}	+	{{DISPLAYTITLE:mat2axrh.m}} __NOTOC__
	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.

← Older revision		Revision as of 14:53, 3 January 2018
Line 1:		Line 1:
−	{{DISPLAYTITLE:~~function~~.m}}	+	{{DISPLAYTITLE:mat2axrh.m}}
	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.

@@ Line 4: / Line 4: @@
 ==Syntax==
-      [iso,ax,rh]=mat2axrh(M)
+      [iso,ax,rh,eigvals]=mat2axrh(M)
 ==Parameters==
@@ Line 15: / Line 15: @@
                 (xx+yy+zz)/3 in terms of eigenvaues
-          ax  - interaction axiality, defined as zz-(xx+yy)/2
+          ax  - interaction axiality, defined as 2*zz-(xx+yy)
                 in terms of eigenvalues
-          rh  - interaction rhombicity, defined as (xx-yy) in
+          rh  - interaction rhombicity, defined as (yy-xx) in
                 terms of eigenvalues
 ==Notes==

@@ Line 27: / Line 27: @@
 ==See also==
-[[axrh2mat.m]], [[spsk2mat.m]], [[anas2mat.m]], [[mat2sphten.m]], [[sphten2mat.m]]
+[[axrh2mat.m]], [[spsk2mat.m]], [[anas2mat.m]], [[mat2sphten.m]], [[sphten2mat.m]], [[ang2cgsppm.m]], [[castep2nqi.m]], [[cgsppm2ang.m]], [[conmat.m]], [[dictum.m]], [[dihedral.m]], [[eeqq2nqi.m]], [[frac2cart.m]], [[g2freq.m]], [[gauss2mhz.m]], [[ham2nqi.m]], [[hartree2joule.m]], [[hz2icm.m]], [[hz2ppm.m]], [[ias2mat.m]], [[mat2ias.m]], [[mhz2gauss.m]], [[mt2hz.m]], [[offsetof.m]], [[ppm2hz.m]], [[tsm2param.m]], [[xyz2dd.m]], [[zfs2mat.m]], [[Kernel_utilities]]
 ''Version 2.1, authors: [[Ilya Kuprov]]''

@@ Line 6: / Line 6: @@
       [iso,ax,rh]=mat2axrh(M)
-==Arguments==
+==Parameters==
       M   - a real symmetric 3x3 matrix