wannier90

Module to prepare wannier90 input files

Functions

epw_bandcheck([infile, out, proj, ...])

function to write input file for wannier90 calculations.

wannier90.epw_bandcheck(infile='scf.in', out='ex.win', proj=' ', json_file='wannier90.json', dft='QE')

function to write input file for wannier90 calculations. Default: ‘ex.win’

Parameters:

• infile (input file for scf calculation)

• out (output file. Default: 'ex.win')

• proj ('scdm' if used SCDM projection, '' otherwise)

• json_file (JSON file containing element-value pairs for configurational settings)

• dft (DFT package name, can be 'QE' (Quantum ESPRESSO), 'VASP', or 'other')