TPP  Euler angles (block)

Read Euler angles of the ligands in the form

<theta> <phi> [<psi>]

The optional angle is relevant only in the case of anisotropic interaction, default value is zero.

Example: Coordinates of a tetragonally distorted tetrahedron with variation of the distortion.

VAR
theta+ = 50 60 5
theta- = 180 - theta+

XYZ
theta+   45
theta+  135
theta-  -45
theta- -135

theta+ and theta- will take the values 50, 55 and 60 resp. 130, 125 and 120 . The ligands are placed such that the symmetry axes coincide with the coordinate axes. Under these premises, AOMX can correctly evaluate the term symbols in the effective rotational symmetry that is obtaeind by holoedrization of the potential (see section B.2) and has to be given in the head lines (see page ).