Author Topic: superconducting transition temperature  (Read 2196 times)

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Offline Roc2019

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superconducting transition temperature
« 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.

Offline Tue Gunst

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Re: superconducting transition temperature
« Reply #1 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.
« Last Edit: June 17, 2020, 09:37 by Tue Gunst »

Offline Roc2019

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Re: superconducting transition temperature
« Reply #2 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.