[Wien] projected DOS of Ti in rutile

[Dong Su]

Dear Wien2K users:
I have a technical question regarding projection of DOS of Ti in rutile. (I searched this question on the mail list but have not found any clue though it should be a easy question)


I am working on a case of rutile structure, where I am interested in the projected DOS of Ti atom. 
I would like to know the projected DOS along x1, y1,z1 coordinates (C1)of the unit cell. I think what we I got from Wien2k calculation is the projected DOS according to the x2,y2,z2 coordinates of Ti atom(C2).
How can I transfer the results C2 to C1? 

My current way is to find the "Local ROT Matrix" D in case.struct
since D*c1=c2,
the new projected DOS at C1,( px1, py1, pz1)should be  D(-1)(Px,Py,Pz)(Px,Py,Pz are the calculated DOS  )



Is this method correct? or there are other methods?

Thanks

Dong SU,Ph.D
Dept. Of Physics, Arizona State University
P.O. Box 871504
Tempe, Arizona 85287-1504
Phone: 480-965-6327
Fax: 480-965-7954
E-mail: dong.su at asu.edu