I am trying to find out Tc calculation for superconducting materials using Quantum Espresso but the final results are not coming.
I have obtained a zero value of the superconducting transition temperature in almost all the results. Can someone please guide me.
I am afraid you should provide a few pieces of information more:
1) Which materials are you studying and with which code? I assume QE + EPW.
2) What do you mean that “I have obtained a zero value… in almost all the results”? It means that certain systems do show a finite Tc?
3) Do you have other evidence that the materials you are investigating should be superconducting and any value on their numerical Tc?
I hope this helps,
Roberto
Quantum Espresso is for electronic structure calculation and materials modeling using computer codes. Generally, ab initio calculations of Tc of superconductors are difficult.
How do you trace the cooper pair density of states? Possibly need to workout pseudopotential itself to get new kohn sham equation (effective single particle theory of superconductivity).
Can you get Bogoliubov quasiparticle spectrum as well ? Very interesting work.
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