[Wien] question

[Torsten Andersen]

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Best regards,
TOrsten Andersen.

ËïÉÙÈð wrote:
>  Dear users:
>       When I calculate the Cu(111) surface, I constructed a supercell with nine layers Cu atoms and three layers vacuum.
> But after some iterations of scf, there is a error in LAPW1 as follows:
>       **  Error in Parallel LAPW1
> **  LAPW1 STOPPED at Fri Sep 24 13:37:40 CST 2004
> **  check ERROR FILES!
>  'SELECT' - no energy limits found for L= 1                                    
>  'SELECT' - E-bottom -200.00000   E-top -200.00000                             
>  'SELECT' - no energy limits found for L= 1                                    
>  'SELECT' - E-bottom -200.00000   E-top -200.00000                             
>  'SELECT' - no energy limits found for L= 1                                    
>  'SELECT' - E-bottom -200.00000   E-top -200.00000                             
>  'SELECT' - no energy limits found for L= 1                                    
>  'SELECT' - E-bottom -200.00000   E-top -200.00000                             
>  'SELECT' - no energy limits found for L= 1                                    
>  'SELECT' - E-bottom -200.00000   E-top -200.00000                             
>  'SELECT' - no energy limits found for L= 1                                    
>  'SELECT' - E-bottom -200.00000   E-top -200.00000                             
>  'SELECT' - no energy limits found for L= 1                                    
>  'SELECT' - E-bottom -200.00000   E-top -200.00000                             
>  'SELECT' - no energy limits found for L= 1                                    
>  'SELECT' - E-bottom -200.00000   E-top -200.00000       
>     who can tell me what is the matter? and how could I solve it ?
>     thanks!
>                                                         S. R. Sun                      
> 
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/