Dominik Gresch

Probably best to wait for #430, since this touches the same code parts.

@sphuber I'm not entirely sure which of the categories (https://github.com/aiidateam/aiida-quantumespresso/pull/430#discussion_r345664281) this error belongs to. Certainly not 3xx since it's an error written by QE itself. AFAIK it can occur for...

Yeah, agreed that removing empty lines would make sense. I tried having a quick look into the Fortran documentation, but couldn't find conclusive evidence either way whether empty lines are...

In the case where there are different `calc_engines` I'm not sure it always makes sense to have a global limit. The different codes could run on different node types (more...

Yeah, indeed from that perspective it would be nicer to have a single limit. But that doesn't completely solve the problem if they still need to know which queue it...

> have PP add up a combination of those into a single charge density output To solve this specific use case, could you have PP calculate the individual charge densities,...

Right, that makes sense. If I understood you right, the reason you can't compute the sum of densities to begin with is because you want to choose in a special...

> Of course you can compute other densities directly using different `plot_num` parameters, but I wouldn't consider that "computing the sum", no? Right, I think we're talking about the same...

Just had a look at this code, and I'm a bit confused by the following part: ```python # The number of nodes is the maximum number we can use that...

Should we address this before 2.0? As far as I can see, [this comment](https://github.com/aiidateam/aiida-core/issues/161#issuecomment-525626902) by @giovannipizzi is the latest suggestion. Questions on this: - Is `ry_to_ev` and `ry_si` the only...