Superconductivity

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sarga_pk
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Superconductivity

#1 Post by sarga_pk » Wed Jul 27, 2022 9:48 am

How to perform superconductivity calculation using vasp?

henrique_miranda
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Re: Superconductivity

#2 Post by henrique_miranda » Wed Jul 27, 2022 10:55 am

You should be more specific in your question:
Which formalism do you want to use to describe superconductivity?
What type of systems are you interested in looking at?

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Re: Superconductivity

#3 Post by sarga_pk » Thu Jul 28, 2022 8:09 am

Im interested in 2D materials. Basically heterostructures. I want to check a particular structure showing superconducting property or not. I want to know about the procedure of performing those calculation.

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Re: Superconductivity

#4 Post by henrique_miranda » Thu Jul 28, 2022 3:33 pm

Well, it depends on the properties you are interested in.

Two approaches commonly used on first-principles codes to compute critical superconducting temperature for phonon-mediated superconductors are described in the following reference:
https://link.aps.org/doi/10.1103/RevModPhys.89.015003
These formalisms require the computation of electron-phonon matrix elements which is not available as of vasp 6.3.x

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