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Superconductivity
Posted: Wed Jul 27, 2022 9:48 am
by sarga_pk
How to perform superconductivity calculation using vasp?
Re: Superconductivity
Posted: Wed Jul 27, 2022 10:55 am
by henrique_miranda
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?
Re: Superconductivity
Posted: Thu Jul 28, 2022 8:09 am
by sarga_pk
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.
Re: Superconductivity
Posted: Thu Jul 28, 2022 3:33 pm
by henrique_miranda
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