[Wien] Error in 2nd cycle

[shamik chakrabarti]

Dear Wien2k users,

                I was trying to simulate the optimized structure of
LiFePO4. However, at the second cycle the error appeared as;

'SELECT' - no energy limits found for atom   2  L= 1

 'SELECT' - E-bottom   -0.73912   E-top -200.00000


I have attached the struct file herewith this mail for your consideration.

Any response will be eagerly awaited.

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