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Dear Nakib,
In this PR, I added the GPU implementation for the three-phonon interaction and transition probabilities calculations.
For the V step, instead of looping over all the unnecessary energetically forbidden processes, the calculation is now done in two stages: first, the possible (q2, s2, s3) combinations are filtered on the CPU to keep only the valid three-phonon states. Then, only this compact list of valid states is sent to the GPU, where the matrix elements are computed with Vm2_3ph_gpu_kernel.
For the W step, there is now another file saved to disk alongside the usual output an index of which processes survived the V step's filter so W can just read that back instead of redoing the filtering itself. I also added the GPU versions of the small helper functions (Bose_gpu and expm1_gpu) needed for this part.
I verified converged kappa matches the CPU reference exactly at every mesh and material I tested.
Looking forward to your comments and suggestions,
Best,
Sally