[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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