User contributions for Miranda.henrique

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30 September 2024

  • 16:1616:16, 30 September 2024 diff hist +1,026 N ELPH SELFEN DELTACreated page with "{{elph_release}} {{DISPLAYTITLE:ELPH_SELFEN_DELTA}} {{TAGDEF|ELPH_SELFEN_DELTA|[real array]| 0.01}} Description: Complex imaginary shift to use when computing the self-energy due to electron-phonon coupling. ---- If the value is set to 0.0 then the tetrahedron method is used to perform the Brillouin zone integrals and evaluate only the imaginary part of the electron self-energy. This is the recommended option for Transport coefficients including electron-phonon scatt..." current
  • 15:4115:41, 30 September 2024 diff hist −5 Bandgap renormalization due to electron-phonon couplingNo edit summary
  • 15:2215:22, 30 September 2024 diff hist +928 N ELPH SELFEN GAPSCreated page with "{{elph_release}} {{DISPLAYTITLE:ELPH_SELFEN_GAPS}} {{TAGDEF|ELPH_SELFEN_GAPS|[logical]|.false.}} Description: Find the direct and indirect gaps and the valence and conduction Kohn-Sham states that form it and select to compute their self-energy due to electron-phonon coupling. ---- This tag additionally activates the reporting of the value of the bandgap renormalization to the {{FILE|OUTCAR}} file $ grep -A7 'KS-QP gap (meV)' OUTCAR and {{FILE|vaspout.h5}} file un..." current

23 September 2024

23 August 2024

22 August 2024

14 June 2024

13 June 2024

12 June 2024

31 May 2024

9 February 2024

8 February 2024

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