Irreducible BZ calculation in pw2wannier90.f90
This merge request adds a subroutine compute_mmn_ibz and some changes in pw2wannier90 to compute Mmn and Amn matrices in the irreducible BZ. Using a new option, ‘irr_bz = .true.’, pw2wannier90 reads wavefunctions in the IBZ, and generates prefix.immn, prefix.iamn, prefix.ieig, and additional symmetry information, prefix.isym. From these data, we can compute Mmn and Amn matrices in the full BZ. The script and sample input files are in https://github.com/wannier-utils-dev/symWannier.
Edited by Takashi Koretsune