[Wien] Ghost band error in anatase TiO2

[Peter Blaha]

With such small RMTs it is clear that the structure is wrong.

Am 28.08.2020 um 18:01 schrieb shamik chakrabarti:
> Dear Wien2k users,
> 
>                            I am obtaining Ghost band error at the first 
> cycle during running anatase TiO2 (struct file attached). I have changed 
> the Rmt of Ti to a higher value than that obtained from the original 
> struct file, however, still not able to eradicate the error.
> 
> Looking forward to your suggestion in this regard.
> 
> 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
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