[Wien] EFERMI OUT OF ENERGY RANGE

[Vivek Jain]

Dear All WIEN2k Users,


i am using WIEN2k code for study of Heusler alloys Fe2MnSi on GaAs (100)
substate. i attache case.struct & case.klist file. i give 100 k-mesh points
which gives 9 k-point. following error occured in LAPW2 after 3 cycle of
SCF calculation. is k-point sufficient for this structure. RMT reduced by
3% and RMT*Kmax is 7.00.

Error in LAPW2
 'FERMI' - EFERMI OUT OF ENERGY RANGE
 'FERMI' - STOP IN EFI
 'FERMI' - ENERGY OF LOWER BOUND                 :
0.69642
 'FERMI' - NUMBER OF STATES AT THE LOWER BOUND   :
202.65201
 'FERMI' - ENERGY OF UPPER BOUND                 :
0.69642
 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND   :
202.67979
 'FERMI' - ADD
201.66667
 'FERMI' - SOS
0.0000.0000.0000.0000.0000.0000.0000.0000.0000.000
 'FERMI' - NOS
**************************************************




-- 
Warm Regards,
Vivek Kumar Jain
Department of Physics
MLSU Udaipur
08824670200
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