Other tools support in wannier90 packge for this plugin.

[hongyi-zhao]

Hi,

I noted that there are several tools included in wannier90 packge, say the following:

$ ls *.x
postw90.x  w90chk2chk.x  w90spn2spn.x  wannier90.x

But it seems this plugin only support the wannier90.x of them. Any hints?

Regards

[greschd]

That's correct, these are not currently supported by aiida-wannier90 - I don't know if there are any plans to add support, but if you're willing to implement this we can certainly help you with the design questions.

@giovannipizzi would know if there is already some ongoing work on this.

[hongyi-zhao]

Dominik Gresch <notifications@github.com> 于2020年4月22日周三 下午7:23写道：

That's correct, these are not currently supported by aiida-wannier90 - I don't know if there are any plans to add support, but if you're willing to implement this we can certainly help you with the design questions. @giovannipizzi <https://github.com/giovannipizzi> would know if there is already some ongoing work on this.

I don't think I've enough capability for doing that thing currently, let me have more understanding on the mechanism of them and give a try. Another issue I noticed that these tools have relative few options, so why split into too many tools? This is just like the differences between vasp and quantum espresso. The former only has a few tools/binaries for user to select while the latter has so many tools which results that we must design corresponding plugins for each of them used by AiiDA. Regards —

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[greschd]

I think this is a design choice of having more but simple tools, following (roughly) the UNIX philosophy of "doing one thing well".

From the point of view of AiiDA it doesn't make that much of a difference whether we have many simple calculation plugins, or a single more complex one.

I can't comment on whether the "separate tools" or "monolith" approach would be better in this specific case - both have their advantages and drawbacks.

[giovannipizzi]

There is plan to support at least postw90.x, this might happen relatively soon but we have no official timeline yet. Mentioning also @normarivano and @qiaojunfeng who might end up implementing them (but we cannot guarantee anything at the moment)

[qiaojunfeng]

On our wishlist :), but no concrete plan for the moment.