[Wien] lapw2.error

[英国 高]

Dear everyone,
        I'm dealing with a system with 4 atomes.  When I do scf calculation, in the first cycle the lapw2 stops with errors, here is the lapw2.error:
      'FERMI' - EFERMI OUT OF ENERGY RANGE
    'FERMI' - STOP IN EFI
    'FERMI' - ENERGY OF LOWER BOUND                 :  -1.12859                  
    'FERMI' - NUMBER OF STATES AT THE LOWER BOUND   :   0.00000                  
    'FERMI' - ENERGY OF UPPER BOUND                 :   3.00413                  
   'FERMI' - NUMBER OF STATES AT THE UPPER BOUND   :   8.00000                  
   'FERMI' - ADD    8.00000                                                     
  'FERMI' - SOS 0.0000.0090.0160.0000.0000.0000.0000.0000.0000.218             
 'FERMI' - NOS **************************************************
   
  I have read the mailing list about the same error and tried the following methods :
    (1)  increase Emin/Emax in case.in1
    (2)  change the FERMI-method with TETRA, GAUSS, ROOT, TEMP 
    (3)  use different mixing factor in case.inm
    (4)  increase the k-mesh
  However, all of the methods above didn't generate any great change. The error is still exist. Is there anyong know the reason for this? Any answers will be welcomed. Thanks in advance.
   
  Gao
   
    
   
   
   
   



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