[Wien] Spin-orbital calculation always stop at LAPW2
Lo_wan_2005XW
lo_wan_2005 at hotmail.com
Thu Dec 4 06:41:10 CET 2008
Dear all,
I am trying to perform the calculation with spin-orbital interaction. So exactly following the userguide,
I first do the normal scf calculaction without SO-effect. The calculation finish smoothly without any warnning
in all output and scf files.
Then I save the calculation, and do initso.
After that, I run "runsp_lapw -so"
The calculation always stop at LAPW2:
--------------------------------------------------------------------------
LAPW1 END
LAPW1 END
LAPWSO END
L2main - QTL-B Error
> stop error
[1]+ Exit 9 runsp_lapw -so
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