QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Roc2019 on June 17, 2020, 06:27

Title: superconducting transition temperature
Post by: Roc2019 on June 17, 2020, 06:27

Dear Sir,

Bease on the ATK calculations (2019.12.sp1), could one get the superconducting transition temperature from the Allen – Dynes formula,  like the Quantum Espresso does.

Thank you.

Title: Re: superconducting transition temperature
Post by: Tue Gunst on June 17, 2020, 09:34

Hi,
QuantumATK does not currently have a finalized feature for the superconducting transition temperature.
It could be done in script as all the ingredients are present, e.g. the electron-phonon coupling matrix elements needed for the Eliashberg function.
It will most likely be a feature in the future but when will depend on the number of requests.

Title: Re: superconducting transition temperature
Post by: Roc2019 on June 17, 2020, 10:25

Thank you Dr. Gunst .

 It is great if you can share a script of calculating the Tc of superconducting before a new version released with this feature.