[Wien] Unable to run spin-orbit calculation for non-spin cases
ghimire.mpg at gmail.com
Wed Mar 7 04:27:29 CET 2012
Dear wien2k users,
I am interested to carryout the spin-orbit coupling for non-spin
polarized systems. For these case, I run few systems like Bi2Se3, Au etc.
where I could run them normally in spin-polarized mode. But after editing
the .inso file when I run the calculation with run_lapw -so or run_lapw -so
-cc 0.001, it shows the error as shown below. Hope there is someone who is
well familiar with the calculation of spin-orbit couplings and help me out.
L2main - QTL-B Error
> stop error
Thanks in advance
M. P. Ghimire
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