[Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1

[L D]

>     Bi2Se3 with the given
>     lattice parameters and atomic positions for space group R3m (166).
>     The atomic positions along (x, y, z) are as follows:
>     Bi = 0, 0. 0.40046
>     Se (1) = 0, 0, 0.2097
>     Se (2) = 0, 0, 0
>     when I select l start =-6 or -9 it shows that core
>     charge leaks out of the spheres

You'd better send the struct file for us to see the problem exactly.

Best wishes
   Lyudmila Dobysheva
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