[Wien] question

ËïÉÙÈð sunsr at ihep.ac.cn
Fri Sep 24 08:04:29 CEST 2004


 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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