[Wien] FERMI - Error

mouhamed mahdi mouh2009 at gmail.com
Tue Jun 18 16:09:12 CEST 2013


Dear wien2k users
i m performing a E vs C/a optimisation of GdCo2 structure from  -8% to 8%
and i got this error:

ERROR status in GdCo2_coa__-8.0
>   stop error

(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
FERMI - Error

the file uplapw2.error contains :

Error in LAPW2
 'FERMI' - EFERMI OUT OF ENERGY RANGE
 'FERMI' - STOP IN EFI
 'FERMI' - ENERGY OF LOWER BOUND                 :  -0.91514
 'FERMI' - NUMBER OF STATES AT THE LOWER BOUND   :   0.00000
 'FERMI' - ENERGY OF UPPER BOUND                 :   3.00392
 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND   :  56.00000
 'FERMI' - ADD   56.00000
 'FERMI' - SOS 0.0000.0000.0000.0000.0000.0000.1140.1020.0001.116
 'FERMI' - NOS **************************************************

any help PLZ
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