[Wien] Ghost Band error

[Peter Blaha]

If you do it spin-polarized, create a proper case.inst file with 
non-magnetic Li, Sb and O, and only Co should be magnetic.

instgen -ask
init -sp -b ...

Am 19.05.2022 um 10:56 schrieb shamik chakrabarti:
> Dear Wien2k users,
> 
>                      I am trying to simulate the material as attached to 
> the email. I encountered Ghost Band error at the 2nd cycle. I have tried 
> to modify the case.in1 with the information obtained from case.scf2 up, 
> however without success. Please respond with the remedy.
> 
> with regards,
> 
> -- 
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
> 
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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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