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chanchenC

Member

Registered: 2022-05-20

Posts: 1

SINGLE_ANISO - the main magnetic axes and anisotropy axes

Dear all:
I am doing calculation for getting ab initio anisotropy axes. In the output, i am getting the main magnetic axes:

    g TENSOR:
--------------------------------------------------------|
    MAIN VALUES    |             MAIN MAGNETIC AXES     |   x , y , z  -- initial Cartesian axes
-------------------|----|----- x ------- y ------- z ---|   Xm, Ym, Zm -- main magnetic axes
 gX =   0.23984202793875 | Xm |  0.97903553248914  0.10372407145077 -0.17530186286914 |
 gY =   2.03147754054028 | Ym | -0.17108064395614  0.88582609725143 -0.43132764656564 |
 gZ =   6.17559530562663 | Zm |  0.11054790539521  0.45227584771904  0.88500040575288 |

And the anisotropy axes:

D TENSOR:
------------------------------------------------------------------------------------|
MAIN VALUES    |                           MAIN ANISOTROPY AXES                     |   x , y , z  -- initial Cartesian axes
---------------|------------------------------------|-------------------------------|   Xm, Ym, Zm -- main magnetic axes
               |    |     Xm        Ym        Zm    |     x         y         z     |   Xa, Ya, Za -- main anisotropy axes
---------------|----|-------------------------------|-------------------------------|
 Dx =   29.822 | Xa |  0.977646 -0.205934 -0.042422 |  0.987692 -0.100203 -0.120101 |
 Dy =   25.871 | Ya |  0.205577  0.978559 -0.012658 |  0.032456  0.882431 -0.469320 |
 Dz =  -55.693 | Za |  0.044119  0.003654  0.999020 |  0.153009  0.459646  0.874822 |

However, I can't understand the meaning of them and have no idea how to make a visual representation of these axes.
What am I supposed to make of these data?

Best regards

chanchenC