[Wien] Ghost band error

[shamik chakrabarti]

Dear Wien2k users,

                         I have got Ghost band error in SCF for the
attached structure file while running volume optimization. I have tried
with initial configuration for non-magnetic setup for all the atoms during
instgen_lapw, however, got the same result after the 5th iteration. In
case.scf2up the following lines can be found;

.:WARN : QTL-B value eq.  99.50 in Band of energy  -1.29871  ATOM=    2  L=
 1
:WARN : You should change the E-parameter for this atom and L-value in
case.in1 (or try the -in1new switch)

It implies the Ghost band arises due to Si -s orbital. I am attaching the
struct file herewith this email.

Looking forward to hearing from you.

with regards,
-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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