[Wien] L2main - QTL-B Error with spin-orbit caluclation

sufyan sufeer03 at gmail.com
Fri Feb 17 18:44:21 CET 2012


Dears developers and users,
I did my calculation for my case" peroveskite" with the RMT of the wien2k i
used the same steps like in the user guide :
       ( run[sp]_lapw  , save_lapw case_nrel , initso_lapw and then
run[sp]_lapw -so ) and it work very well.
when i want calculate for another RMT of (3d atom) , the calculation has
done very well up to (( run[sp]_lapw  , save_lapw case_nrel , initso_lapw )
but  I have this problem when i run runsp_lapw -so :

 LAPW0 END
 LAPW1 END
 LAPW1 END
LAPWSO END
L2main - QTL-B Error

>   stop error

Thank you for helps.
       Sincerely,
   sufyan Naji
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