intw2W90 Program

Uses

Interface for Wannier90.

Details

The purpose of this utility is to perform the same tasks as the program "pw2wannier90" which is part of the QE distribution, but utilizing a minimum set of (QE generated) Bloch functions, using symmetry.

The code reads the seedname.nnkp file generated by wannier90 and computes and writes overlap matrices (seedname.mmn), energy eigenvalues (seedname.eig) and initial projections (seedname.amn).

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
/
&intw2W
    intw2W_fullzone = T or F
    intw2W_method   = 'CONVOLUTION' or 'FFT'
    compute_amn     = T or F
    compute_mmn     = T or F
/

See intw_input_parameters module for the description of each parameter.