[Wien] Reg: bandstructure with spin orbit coupling for spin polarised case

bobli rekharam swetarekharam at gmail.com
Mon Aug 1 13:23:43 CEST 2011


Dear users

I am using wien2k and I have done the spin polarised calculation and
also I have plotted the band structure for spin up and spin down. Now
I want to include spin orbit coupling and want to plot the band
structure for same. But  for spin orbit coupling When I am using  x
lapwso -band -dn, I am getting some error.

ERROR IN OPENING UNIT:           9
        FILENAME:
 ./case.vector
    STATUS: old          FORM:unformatted
OPEN FAILED
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w

But for x lapwso -band -up, I am not getting any error and it is
plotting fine band structure for spin up. So I want to know, how can I
plot the band structure for spin down with spin orbit coupling. And
how can I remove the above mentioned  error
-- 
Swetarekha Ram,
Research Scholar,
Dept. of Physics,
IIT Hyderabad.


More information about the Wien mailing list