[Wien] Ghost band error in mbj calculation

[shamik chakrabarti]

Dear wien2k users,

                         I am trying to run an mbj calculation for a spinel
compound. It shows ghost-band error in its first cycle. However, either in
GGA or GGA+U the same struct file showed no error and calculation converge
smoothly. I have check the case.scf2 file & it shows,

:WARN : QTL-B value eq.  19.18 in Band of energy  -1.72960  ATOM=   38  L=
 1

Any response in this regard is greatly awaited.

Thanks in advance.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Associate
Electroceramics Lab
Dept. of Metallurgical & Materials Engineering
IIT Kharagpur
Kharagpur 721302
INDIA
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