As the SSCHA school just passed, we released the latest development on CellConstructor in the 1.3 version, already distributed on PyPi for some weeks.
The major improvement is the module to compute the ThermalConductivity by DjordjeDangic, tutorial and documentation is available on the SSCHA school tutorial:
http://sscha.eu/Schools/2023/sscha-school-2023.pdf
Other major improvements are:
- The method to compute phonons using finite differences exploits symmetries to reduce the number of calculations (similarly to phonopy)
- Speedup of 2 orders of magnitudes of some functions that find replicas of atoms in the supercells.
Tons of various bug fixes and improvements.