[Wien] Error in LAPW2

shamik chakrabarti shamik15041981 at gmail.com
Sat Oct 9 07:44:22 CEST 2021


Dear Wien2k users,

                      I have started to simulate the total energy of a
structure (file attached) & obtain an error at the 2nd cycle as below;

Error in LAPW2
 'LAPW2' - semicore band-ranges too large, ghostbands ?

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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