[Wien] Superconductivity and Wien2k.

[Karel Vyborny]

For mercury, the superconducting ground state is the one from the BCS 
theory. A DFT calculation (such as Wien2k) will not produce such a many 
body ground state. It will predict an ordinary metal instead. However, 
based on DFT calculations, the inputs for BCS theory can be obtained.

KV


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dr. Karel Vyborny
Fyzikalni ustav AV CR, v.v.i.
Cukrovarnicka 10
Praha 6, CZ-16253
tel: +420220318459


On Fri, 14 Feb 2020, David BLUTH wrote:

> 
> Dear Wien2k users;
> 
> I am a beginner in Wien2k and I would like to know how to calculate the
> properties of superconductors. Indeed when we calculate the properties of Hg
> which is normally superconductive at 4.2 K, Wien2k, which is based on the
> DFT (T = 0k), consider it implicitly superconductive?
> 
> Thank you.
> 
> 
>