[QE-developers] a special question about QE

陈石 chenshi710 at gmail.com
Thu May 4 13:46:27 CEST 2023


Sorry to bother you with my questions.Recently when I calculated
the superconducting transition temperatures of some structures with QE 5.4
version and 6.4 version,the results of superconducting transition
temperatures were completely different.We had examined the conditions and
other parameters and they were the same.But 6.4 version gave us
temperatures that were much higher than 5.4 version(more than three times
of 5.4 version).Now I can only conclude that the ωlog and λ were different
and I sincerely want to know that have you changed the cod logic of getting
the EPC strength and the logarithmically averaged phonon frequency in 6.4
version?And are there new conditions that I have to set in 6.4 version
about the calculation of superconducting transition temperatures?Looking
forward to your reply.
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