regarding the SCENE matrix

[MUKESH SINGH]

Dear VESTA users,

I am trying to modify .vesta file using python to see different view of the structure plot. The changes need to be made are in the SCENE section of .vesta file.

By default VESTA, write SCENE matrix as

1  0  0

0  1  0

0  0   1

and other stuff.

Now, if I click in VESTA to a, b, c, a*, b* or c*, it will the structure will get rotated such that a, b, c, a*, b* and c* comes to top, and SCENE matrix changes.

My question is how to get this screen matrix?

e.g. For graphene:

---------------------------
Primitive Cell
  1.000000
    1.23386000000000   -2.13710820942693    0.00000000000000
    1.23386000000000    2.13710820942693    0.00000000000000
    0.00000000000000    0.00000000000000    8.68504000000000
  C
   2
DIRECT
    0.3333349999999999    0.6666650000000001    0.5000000000000000     C1
    0.6666650000000001    0.3333349999999999    0.5000000000000000     C2

---------------------------------

Default SCENE:


SCENE
 1.000000  0.000000  0.000000  0.000000
 0.000000  1.000000  0.000000  0.000000
 0.000000  0.000000  1.000000  0.000000
 0.000000  0.000000  0.000000  1.000000
  0.000   0.000
  0.000
  1.000


while on view in a direction (on clicking a ), SCENE become:

SCENE
 0.866025  0.500000  0.000000  0.000000
 0.000000  0.000000  1.000000  0.000000
 0.500000 -0.866025  0.000000  0.000000
 0.000000  0.000000  0.000000  1.000000
  0.000   0.000
  0.000
  1.000


So, my question, what the relation between these two scene? How to relate them?
Any suggestion will be highly appreciated.

Thanks,
Mukesh Singh
Department of Physics,

CMU, MI