add job and use output

[JaGeo]

Summary

It seems to partially run now. I added one job argument and will now try to debug the other parts as well.

I would, however, recommend that you move the code to "common/flow/pheasy.py" and "common/jobs/pheasy.py" instead of directly changing the phonon.py files. If you ever want to merge it to the main branch of atomate2, this would take some time to fix. Let's rather do it now.

[JaGeo]

I am not sure the adding and running of additional phonon displacement works as intended yet but at least all code is connected. I think you can take over now again and try to fix the rest of the code (and make the suggested changes from above)

[leslie-zheng]

I am not sure the adding and running of additional phonon displacement works as intended yet but at least all code is connected. I think you can take over now again and try to fix the rest of the code (and make the suggested changes from above)

very appreciate and will do it.

[leslie-zheng]

Summary

It seems to partially run now. I added one job argument and will now try to debug the other parts as well.

I would, however, recommend that you move the code to "common/flow/pheasy.py" and "common/jobs/pheasy.py" instead of directly changing the phonon.py files. If you ever want to merge it to the main branch of atomate2, this would take some time to fix. Let's rather do it now.

Sure, we want to merge into the main branch in the future, will move the code to "common/flow/pheasy.py" and "common/jobs/pheasy.py" at the same time.

[JaGeo]

I tested with this test so far. Might be faster than debugging with the vasp jobs

[leslie-zheng]

Thanks Janine, that is really helpful.