[Wien] Modify the supercell-structure file!

[Stefaan Cottenier]

> Everything is ok. But there are something wrong with the init_lapw.

> >3) Choose a suitable Rmt and R0for your impurity.
>      The Rmt and R0 were set to 2.1 and 0.00010000.

2.1 might be rather small, check your case.outputst for possible 
leakage and adjust the core/valence energy separation if needed.

>   SELECT ENERGY to separate core and valence states:
>   recommended: -6.0 Ry (check how much core charge leaks out of
> MT-sphere)
> -6
>  STOP LSTART ENDS
>  STOP
> 15.2u 0.0s 0:27 55% 0+0k 0+1io 0pf+0w
> Word too long

> The programme stop here. I did not find the output-file of
> TiCdO2.in2_st, which is necessary for dstart.

Try to run this step with 'x lstart' and look in case.outputst. If 
lstart did work before, then there is probably some input problem in 
case.struct (or case.inst). Maybe the leakage suggested above ?

Stefaan