[Wien] The effects of spin-orbit on DOS

[段鹤]

Dear Dr.Peter Blaha,
I am highly appreciated for your help. I am puzzled with another problem: 
After doing the relaxation without including spin-orbit (SO) for zinc-blende 
CdZnTe successfully,I try to calculate the density of states (DOS) for the 
relaxed structure. If  SO is not considered, the overall distrubution of DOS 
is well consistent with literature; but a notable shift in energy position 
occures once SO is included. Does SO really have significant effects on the 
DOS? How to deal with this problem? 

Best regards,  				
H. Duan
National Laboratory for Infrared Physics
Shanghai Institute of Technical Physics
Chinese Academy of Sciences
500 Yutian Road
Shanghai 200083
P.R.China.
duanhe at mail.sitp.ac.cn
duanhe1977 at yahoo.com.cn　　　　　　　　　　　　　　　　　
Tel:0086-21-65420850*24105(24311)