[Wien] 'LAPW2' - semicore band-ranges too large, ghostbands ?

[shamik chakrabarti]

Dear Wien2k users,

                       I want to simulate lithiation in Graphene. I have
adopted a structure for lithiation in Graphene & the structure is attached
in this email. I got the following error;
'LAPW2' - semicore band-ranges too large, ghostbands ?

The C-C distance is 1.42 A and Li-C distance is 1.84 A & both are feasible.

Any response is 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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