[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.
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