[Wien] Error:no energy limits found for atom

[Lyudmila Dobysheva]

27.11.2015 13:45, Abdul Jalil wrote:
> SELECT - Error*
> *'SELECT' - no energy limits found for atom   1  L= 0
>   'SELECT' - E-bottom -200.00000   E-top -200.00000 *

In what you have sent (or I have received), there are atoms at the same 
positions:
 > ATOM  -1: X=0.33333000 Y=0.66667000 Z=0.42900000
 > ATOM  -2: X=0.33334000 Y=0.66667000 Z=0.42900000
and
 > ATOM  -3: X=0.66667000 Y=0.33333000 Z=0.57004000
 > ATOM  -4: X=0.66667000 Y=0.33334000 Z=0.57004000

How did you manage to initialize it all?

Best wishes
   Lyudmila Dobysheva
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