[Wien] SELECT - problem

Lyudmila Dobysheva lyu at otf.pti.udm.ru
Fri Nov 25 11:16:38 CET 2005


On Thursday 24 November 2005 12:14, Streltsov Sergey wrote:

> I've got this stupid error which actually has been described even in FAQ
> 'SELECT' - no energy limits found for L= 0
> 'SELECT' - E-bottom   -3.97000   E-top -200.00000

Dear Sergey,

I have taken your files and conducted the initialization and the first 
iteration of the SCF cycle. No problems with it (I didn't use the struct file 
from sgroup).
I do not see any level L=0 with E-bottom   -3.97000 in my calculation.
Did you take some unusual parameters in other input files?

Best regards
  Lyudmila Dobysheva 
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