[Wien] Error in LAPW2

[Laurence Marks]

Do you remember my recent comments about bad models?

What are standard values for Li-C bond length, and what are yours?

--
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what
nobody else has thought" Albert Szent-Györgyi

On Sat, Oct 9, 2021, 12:45 AM shamik chakrabarti <shamik15041981 at gmail.com>
wrote:

> 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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