[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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