[Wien] Ghost Band error

[shamik chakrabarti]

Dear Prof. Blaha,

                      Thank you for your advice Sir. Its running fine now.

with regards,

On Thu, 19 May 2022 at 21:55, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> 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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>
> --
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
> WWW:   http://www.imc.tuwien.ac.at
> -------------------------------------------------------------------------
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-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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