[Wien] Isolated Atomic Calculation - all time error

[Stefaan Cottenier]

>    QTL-B VALUE .EQ. **********   in Band of energy   -2.47875   
> ATOM=    1   L=  0
>     Check for ghostbands or EIGENVALUES BELOW XX messages
>     Adjust your Energy-parameters or use -in1new switch, check RMTs  !!!
>
>  
>
> Accordenly with  Stefaan's recomendation the content of *.in1 file
>
> WFFIL        (WFPRI, SUPWF)
>   7.00       10    4 (R-MT*K-MAX; MAX L IN WF, V-NMT
>   0.30    3  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global 
> APW/LAPW)
>  0   -0.78      0.010 CONT 1
>  0    0.30      0.000 CONT 1
>  1    -2.47875      0.000 CONT 1
> K-VECTORS FROM UNIT:4   -9.0       2.0      emin/emax window
>
> Why error agein now?
>

Because you get a QTL-B message for L=0 and change the linearization 
energy for L=1 ....

Stefaan


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