Emanuele Bosoni

Hi @espenfl, the protocol must be the exact same you used to produce the results, since we want the results to be completely reproducible. Since you have more than one...

Thanks @espenfl. There are few addition I will ask you to do. First of all, since many codes do not want to identify the protocol used for this study as...

@espenfl will you have time to correct the small final details that are still mising?

To simulate the type-II antiferromagnetic structure we need a cell bigger than the conventional one with 4 atoms. The calculations are already quite demanding for being simple test case, therefore...

@yakutovicha I tried the planar AFM arrangement. It is not the most stable configuration though. I will send you the data.

Hi all, thanks a million for the discussion. I want to make two points: 1) The fact that we are using our common workflows for the verification project is maybe...

Thanks for opening this issue. A related issue is already present in aiida-core. https://github.com/aiidateam/aiida-core/issues/2847 The BandsData is also used for phonons and there are situation where also electronic bands are...

It's an interesting point. First off, I remember that the `StructureData` type was originally kept very minimal because its scope is not to be a comprehensive structure manager. For that,...

In siesta the spin direction is specified for each atom by the polar angle theta and the azimuthal angle phi (using the physics ISO convention), given in degrees. For the...

I tried with quotes and it is not working. But: aiida-common-workflows launch eos abinit -S Fe -p precise -s collinear -X 71 --magnetization-per-site -4.0 4.0 works. This is just a...