[Wien] A basic question regarding Rmt of the same element at different compounds

[Peter Blaha]

When these are 2 independent calculations, the RMT can differ and the 
optimal choice should be taken for each compound.

If you want to compare total energies (or maybe partial charges), the 
RMTs must be identical.

Am 22.05.2022 um 16:22 schrieb shamik chakrabarti:
> Dear Wien2k users,
> 
>                       I have a basic question regarding Rmt. Whether the 
> same element at different compounds can have different Rmt?
> 
> Looking forward to hearing from you.
> 
> with regards,
> 
> -- 
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
> 
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