Closed AndresOrtegaGuerrero closed 2 months ago
Do you mean in the outputs?
Like one thing we need to bring to the discussion of the aiidalab-qe app , is a search engine, this part once you have different calculations is quite difficult
Hi @AndresOrtegaGuerrero, I think we should then split into two workchains: vibronic, in case of HarmonicWorkChain and PhononWorkchain, and IRamanWorkChain. The at this point we should also make runnable directly the DielectricWorkchain.
However, this goes back to the previous implementation. But I think it is the only way to show explicitely what you are running.
Maybe there is the possibility to modify the worktree directly, to easily inspect the true workchain. I am thinking about this as we were discussing about changing its logic/view
closing this issue, now we can put tags and labels attached to the run.
When selecting the workchain in aiidalab-qe , instead of displaying vibronic , it should display the property, like iraman, phonon bands, phonons pdos, dielectric constant ....