Solver for the BTE in highly symmetric nanostructures

nakib / elphbolt

A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.

GNU General Public License v3.0

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Solver for the BTE in highly symmetric nanostructures #141

Closed mrm24 closed 5 months ago

mrm24 commented 5 months ago

I modified few files to generalize few procedures so they can be used in both bulk and nano. The main changes are in bte_nano, which is almost a "copy" of the bte.f90; also I removed magnetic field from there. I've also corrected a bug, as the tensors where not properly dumped into the drag files for the iteration 0.

nakib commented 5 months ago

Dear Marti,

Thanks for the pull request. Can you check if you have added the new source file that contains the bte_nano_module? The CI broke with the following error:

<ERROR> *cmd_build* Target error: Unable to find source for module dependency: "bte_nano_module" used by "app/elphbolt.f90"

mrm24 commented 5 months ago

Yep, my fault I forgot to "git add" the new file. Now it should compile.

nakib commented 5 months ago

Now all tests pass. Merged it just now. I'll get in touch regarding creating a test (suite) for the nano-stuff.

Thanks a bunch for this important contribution!

Best, Nakib