[Wien] Error in LAPW2

Amine Slassi a.slassi at yahoo.fr
Wed Nov 19 13:24:25 CET 2014


Hello,I tried to calculate the ground state energy of a metallic system. but the SCF stopped at LAPW2 with a errors message:  

Error inLAPW2

 'FERMI' - EFERMI OUT OF ENERGY RANGE

 'FERMI' - STOP IN EFI

 'FERMI' - ENERGY OF LOWER BOUND                 :  -9.35915                  

 'FERMI' - NUMBER OF STATES AT THE LOWERBOUND   :   0.00000                  

 'FERMI' - ENERGY OF UPPER BOUND                 :  3.01236                  

 'FERMI' - NUMBER OF STATES AT THE UPPERBOUND   : 62.00000                  

 'FERMI' - ADD   62.00000                                                     'FERMI' - SOS0.0000.0000.0000.0000.0000.0000.7900.0160.1041.340              'FERMI' - NOS**************************************************             



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