[Wien] Orbital angular momentum at Fermi surface

[matui at ms.naist.jp]

Thank you for a quick reply.

> In fcc Cu the symmetry is cubic and for this symmetry, px,py and pz must
> be equal. For this reason, WIEN2k gives only a p-charge (and it is clear
> from the above that px=1/3p). The d-charge is splitted into eg and t2g
> according to cubic symmetry.
> 
> WIEN2k will always give you an m-splitting according to group theory.

I understand and agree with this point.

What I am interested in is "the axis" of p orbital in k space.
I have performed a photoelectron spectroscopy measurement.
In the X [100] direction, p orbital seems to have its axis oriented to [100] direction,
while in the X [010] direction, p orbital seems to have its axis oriented to [010] direction.
In the X [001] direction, p orbital seems to have its axis oriented to [001] direction.
I am wondering wheather the Fermi surface at a specific X point such as in [100] direction have
composition of px:py:pz=1/3:1/3:1/3 or 1:0:0.

Should I modify fcc Cu just a little to break the symmetry and check it?
 
Thank you.

Fumihiko Matsui