Feature/kkr bdg workflow

[MRHemmati]

What this PR adds

aiida_kkr/workflows/kkr_bdg_wc.py (new file)

Implements kkr_bdg_wc, an AiiDA WorkChain that automates the full
Bogoliubov-de Gennes (BdG) calculation pipeline for host (bulk) materials
on top of the KKRhost code. It orchestrates four sequential steps:

1. Normal-state KKR SCF — standard self-consistency using kkr_scf_wc
   (skipped if remote_data_normal is provided).
2. Semi-circle contour restart — switches the energy contour to a
   semi-circle around the Fermi level for better resolution of the gap
   (skipped if remote_data_semi_circle is provided).
3. BdG initialisation (one-shot) — single iteration with the BdG-enabled
   KKRhost code to generate the initial anomalous density.
4. BdG SCF — full self-consistent convergence of the anomalous
   (pairing) potential to obtain the superconducting gap Δ.

Parameter updates between steps are handled through tracked @calcfunctions
(update_params_semi_circle, update_params_bdg) to preserve full AiiDA
provenance. Both normal and BdG codes can be supplied independently, and all
four steps expose dedicated exit_codes (301–304) for error handling.

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aiida_kkr/workflows/__init__.py (modified)

Added the new workflow to the package exports:

from .kkr_bdg_wc import kkr_bdg_wc

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pyproject.toml (modified)

Registered the workflow as an AiiDA entry point so it is discoverable
via WorkflowFactory('kkr.kkr_bdg_wc'):

[project.entry-points."aiida.workflows"]
"kkr.kkr_bdg_wc" = "aiida_kkr.workflows.kkr_bdg_wc:kkr_bdg_wc"

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How to test

from aiida.plugins import WorkflowFactory
kkr_bdg_wc = WorkflowFactory('kkr.kkr_bdg_wc')
print(kkr_bdg_wc.get_builder())   # should print the spec without errors

See examples/Test_kkr_bdg_wc.ipynb for a full submission example with bulk Nb.

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