Some important updates

[GuiJanone]

This update addresses several major and minor issues present in the previous version. In particular:

• Fixed parsing of the XATU .eigval file;
• Fixed parsing of the Wannier90 _tb.dat file;
• Corrected a missing factor of $2\pi$ in the excitonic linear conductivity;
• Refactored the input parser to allow arguments in arbitrary order;
• Added calculation and output of the z-direction tensor components.

Parsing

parser_optics_xatu_dim.f90 was refactored to simplify future development.
The reading of the XATU .eigval file was updated to accommodate changes in its header format introduced in a recent XATU version.

parser_wannier90_tb.f90 now stores hoppings and position matrix elements using the indices explicitly read from the file, rather than assuming loop indices.

input_parser.f90 was refactored to accept input parameters in any order. It now supports both gaussian and lorentzian broadening, with gaussian set as the default.

Conductivities

A missing factor of $2\pi$ was corrected in sigma_first_ex.f90.

ome_sp.f90 now computes the Berry connection in the z direction, and the sigma_* routines write the corresponding z-components of the conductivity tensor.

All linear-response calculations now reproduce XATU’s results.