[Wien] Orbital character: along which axes?

[Lukasz Plucinski]

Dear All,

I did two calculations for bulk Fe with SOC for magnetization along 110 
and 100. Then I plotted band characters (using lapw2 -band -qtl -up/dn). 
I noticed that now different bands have different character, as if now 
e.g. d(x2-y2) orbital is defined either along 110 and 100 (basically now 
different bands are called with different names as if the reference 
frame has rotated by 45 deg).

I think it would be good to set the reference frame of the bcc crystal 
lattice, that is independent on the magnetization direction.

I also tried with QTL program (x qtl -dn -so) with different QSPLIT 
parameter but this does not seem to solve the problem.

I looked at the manual and could not find a quick answer. It seems it 
has to do with symmetries of the calculation (M is changing mirror 
planes). But is there a way to set x-y directions to be always with 
respect to the crystal axes?

Best,
Lukasz