[Wien] SCF job failed!

DW Liu my_peak01 at 163.com
Thu Feb 19 07:08:53 CET 2004


Dear WIEN users and developers

I am doing SCF calculation for 76-atom unit cell and I got the following
error message in uplapw2.error:

 'FERMI' - EFERMI OUT OF ENERGY RANGE
 'FERMI' - STOP IN EFI
 'FERMI' - ENERGY OF LOWER BOUND                 :  -4.18974
 'FERMI' - NUMBER OF STATES AT THE LOWER BOUND   :   0.00000
 'FERMI' - ENERGY OF UPPER BOUND                 :  -0.15095
 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND   : 400.00000
 'FERMI' - ADD  400.00000
 'FERMI' - SOS 0.0000.0000.0000.0000.0008.4170.0000.0001.7310.111
 'FERMI' - NOS **************************************************
Could you tell me how to deal with the error?
Please help me !
Your sincerely:Dw Liu
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