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SMTG-Bham / sumo

Heavyweight plotting tools for ab initio calculations
https://smtg-bham.github.io/sumo/
MIT License
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y-axis in the DOS plot #18

Open flower0226 opened 6 years ago

flower0226 commented 6 years ago

hi there, i wondering if the y-axis in the subplot can be automatically adjust into the reasonable range? for example, there are two atoms in my system, and A atoms range from 0-5, and B atoms range from 0-10, which is easy for us to do qualitative analysis. thanks you and wish ur reply

ajjackson commented 6 years ago

Hi @flower0226 , sorry it's taken a while to get to this. I assume you are referring to the --subplot option in sumo-dosplot?

At the moment, the scaling is consistent across the subplots so that the relative contributions of elements can be inferred correctly. It would be possible to rescale the subplots, but I'm a little worried the result could be misleading.

One option might an alternative splitting mode where the top plot includes the orbital contributions (like the non-split DOS) and the other axes show rescaled contributions?

@utf suggested we could also rescale automatically and add e.g. a "x10" label to each subplot indicating its scale factor.

flower0226 commented 6 years ago

yes, I know what you worried about. But in some cases, the dopant contribution might be very small, but still important. That's why I want to rescale the y axis for different elements. I think @utf's advice is fine to me.

mukhtarbayerouniversity commented 5 years ago

Hello, You did a nice job. I am having an issue with DOS plot, the issue is including y-axis tick in the plot. thank you.

This has been moved to a new Issue #35