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mitsuaki1987 / sctk

Superconducting-Toolkit (SCTK) is a first-principles program package based on density functional theory for superconductors (SCDFT)
https://mitsuaki1987.github.io/sctk/
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How to calculate anisotropic superconducting gap? #2

Closed mitsuaki1987 closed 1 year ago

mitsuaki1987 commented 1 year ago

(2018-04-27 17:14 by pengfei_liu ) Dear Developers and Users, According to the manual, I have repeated the example of MgB2 and got the energy distribution of the gap at various temperatures. But How can I calculate anisotropic superconducting gap? Best regards!

mitsuaki1987 commented 1 year ago

(2018-06-11 23:15 by mitsuaki1987 ) Dear pengfei_liu

Hello, I am so sorry that I overlooked your message. The anisotropic SC gap is computed by deltaf.x program. It is a post-processing tool for scdft.x. The output SC gap written in delta.frmsf can be plotted by fermisurfer program. See the following part of the tutorial: https://mitsuaki1987.github.io/sctk/en/_build/html/sctk_tutorial_en.html#post-processing

Best regards, Mitsuaki Kawamura