Transport properties projection

[Lamed]

Hello everyone,
I wonder how do I project the transport properties onto the x, y, z axis just like this article Chem. Mater. 2022, 34, 1289−1301

Thanks all of you!

[alex]

Hi @Lamed.

I’ve provided some instructions here. If you still have questions, please let me know.

Electronic Thermal Conductivity

The full transport results are written to the transport.json file. The transport.json file contains the full 3x3 transport tensors for each doping concentration and temperature, and for all transport properties. You can instead write the data as text files by setting file_format: txt in the settings.yaml file. Alternatively, you can get the data in txt format for a specific doping or temperature using the amset plot transport transport.json --gnuplot command. See this post for more details:

[Lamed]

Thanks for your kind reply! Maybe I didn’t express myself very well, actually, I know use the amset plot transport transport.json --gnuplot command to get the total transport results, which is a very useful function. I don’t know how to get the projection on the different directions just like BoltzTrap.
But I find this operation was implemented in the above mentioned document, so I would like to know how to do this projection.
Looking for your reply! Thanks a lot!

[Lamed]

Dear Alex,
I’m happy to tell you I can do this by modifying the file_format to txt, thanks for your help sincerely!

[alex]

Great! You can also use:

amset plot transport transport.json --gnuplot --no-average

To get the x,y, and z components of the transport.

[Lamed]

This command also works! Thanks a lot for your generous help!

[Alex00]

I am interested to know if the code calculates the individual x, y and z components of the scattering rates.

Thanks

[Lamed]

Yes, you just need to follow alex’s suggestion:
amset plot transport transport.json --gnuplot --no-average