ep_on_trFS_wannier Program

Uses

Compute electron-phonon matrix elements on a triangulated Fermi surface using Wannier interpolation.

Details

This utility reads the electron-phonon matrix elements calculated by the utility ep_melements of INTW and interpolates them on a triangulated Fermi surface, following the method of: F. Giustino et al, Phys. Rev. B 76, 165108 (2007) Finally, interpolated matrix elements are saved to file.

MBR 24/04/2024

Input parameters

&input
    outdir                = 'directory'
    prefix                = 'prefix'
    nk1                   = integer
    nk2                   = integer
    nk3                   = integer
    TR_symmetry           = T or F
    use_exclude_bands     = 'none', 'wannier' or 'custom'
    include_bands_initial = integer
    include_bands_final   = integer
/
&ph
    qlist           = 'file'
    nq1             = integer
    nq2             = integer
    nq3             = integer
    nqirr           = integer
/
&elphon
    ep_mat_file         = 'file'
    ep_bands            = 'intw' or 'custom'
    ep_bands_initial    = integer
    ep_bands_final      = integer
    ep_interp_method    = 'wannier'
    ep_interp_bands     = 'intw_bands' or 'ef_crossing'
    nfs_sheets_initial  = integer
    nfs_sheets_final    = integer
/

See intw_input_parameters module for the description of each parameter.