Axrh2mat.m - Revision history

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Update function See also links and function index membership

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Kuprov at 15:52, 2 January 2018

2018-01-02T15:52:44Z

Kuprov at 15:11, 1 January 2018

2018-01-01T15:11:54Z

Kuprov: Created page with "{{DISPLAYTITLE:function.m}} Converts axiality and rhombicity representation of a 3x3 interaction tensor into the corresponding matrix. ==Syntax== M=axrh2mat(iso,ax,rh,a..."

2018-01-01T15:11:34Z

Created page with "{{DISPLAYTITLE:function.m}} Converts axiality and rhombicity representation of a 3x3 interaction tensor into the corresponding matrix. ==Syntax== M=axrh2mat(iso,ax,rh,a..."

New page

{{DISPLAYTITLE:function.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]]''

@@ Line 31: / Line 31: @@
 ==See also==
-[[eeqq2nqi.m]], [[castep2nqi.m]], [[euler2dcm.m]], [[xyz2dd.m]], [[spsk2mat.m]]
+[[eeqq2nqi.m]], [[castep2nqi.m]], [[euler2dcm.m]], [[xyz2dd.m]], [[spsk2mat.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 2.8, authors: [[Ilya Kuprov]]''

@@ Line 32: / Line 32: @@
 ==See also==
 [[eeqq2nqi.m]], [[castep2nqi.m]], [[euler2dcm.m]], [[xyz2dd.m]], [[spsk2mat.m]]
 ''Version 2.8, authors: [[Ilya Kuprov]]''

← Older revision		Revision as of 15:11, 1 January 2018
Line 1:		Line 1:
−	{{DISPLAYTITLE:~~function~~.m}}	+	{{DISPLAYTITLE:axrh2mat.m}}
	Converts axiality and rhombicity representation of a 3x3 interaction tensor into the corresponding matrix.		Converts axiality and rhombicity representation of a 3x3 interaction tensor into the corresponding matrix.

@@ Line 1: / Line 1: @@
-{{DISPLAYTITLE:axrh2mat.m}}
+{{DISPLAYTITLE:axrh2mat.m}} __NOTOC__
-Converts axiality and rhombicity representation of a 3x3 interaction tensor into the corresponding matrix.
+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==
@@ Line 6: / Line 6: @@
       M=axrh2mat(iso,ax,rh,alp,bet,gam)
-==Description==
+==Parameters==
          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
+          ax  - interaction axiality, defined as 2*zz-(xx+yy)/2
-                in terms of eigenvalues
+                in terms of eigenvalues (Mehring order)
-          rh  - interaction rhombicity, defined as (xx-yy) in
+          rh  - interaction rhombicity, defined as (yy-xx) in
-                terms of eigenvalues
+                terms of eigenvalues (Mehring order)
          alp  - alpha Euler angle in radians
@@ Line 31: / Line 28: @@
 ==Notes==
-The reverse transformation (from matrix into axiality, rhombicity, and angles) is ill-defined.
+The inverse transformation (from matrix into axiality, rhombicity, and angles) is ill-defined.
 ==See also==
@@ Line 37: / Line 34: @@
-''Version 2.1, authors: [[Ilya Kuprov]]''
+''Version 2.8, authors: [[Ilya Kuprov]]''