ELPH_SELFEN_IKPT

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Revision as of 15:28, 16 October 2024 by Miranda.henrique (talk | contribs) (Created page with "{{elph_release}} {{DISPLAYTITLE:ELPH_SELFEN_IKPT}} {{TAGDEF|ELPH_SELFEN_IKPT|[real array]|All k-points}} Description: Compute the electron self-energy due to electron-phonon for a list of k-points specified by their index in the irreducible Brillouin zone generated from {{FILE|KPOINTS_ELPH}}. ---- For example, to select to compute for 4 different <b>k</b> points we specify their index in the {{FILE|INCAR}} file {{TAGBL|ELPH_SELFEN_IKPT}} = 1 3 6 8 This tag can be u...")
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ELPH_SELFEN_IKPT = [real array]
Default: ELPH_SELFEN_IKPT = All k-points 

Description: Compute the electron self-energy due to electron-phonon for a list of k-points specified by their index in the irreducible Brillouin zone generated from KPOINTS_ELPH.

For example, to select to compute for 4 different k points we specify their index in the INCAR file 

ELPH_SELFEN_IKPT = 1 3 6 8

This tag can be used in combination with ELPH_SELFEN_BAND_START and ELPH_SELFEN_BAND_STOP to select the calculation of the electron-phonon self-energy for a particular set of k points and bands.

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