[Wien] mbj and SO conflict?

[Peter Blaha]

> Calculating SO first is not a good selection. At the step 'runsp_lapw
> -NI -i 1' one will get the error 'the energy is not converged'.

This is NOT an ERROR, but merely a WARNING that after 1 iteration WIEN2k 
cannot judge if the energy is converged.
But YOU should know, that you already converged the density, and ONE 
more iteration does therefore not harm.

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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A-1060 Vienna
Austria
+43-1-5880115671