Requirements for data standards

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4 years 9 months ago #13 by Martin Lueders
Martin Lueders created the topic: Requirements for data standards
At the last working group meeting in Pilsen, we started the discussion on a common data format for writing and reading various quantities (e.g. electron densities), which could be interchanged between different programs.

It was decided that we should team up with the developers of the ETSF community and the CECAM activity around an electronic structure library (ESL), in order not to reinvent the wheel.

We are planning to have a short meeting between these developer groups within the next few weeks.

Before having a meeting with developers, it would be good if we (EUSpec) could come up with a list of properties, we would like to have included in a future standard. I would, therefore, like to ask you to post any suggestions in this forum topic. I will then combine them into a document, to be presented at the upcoming meeting.

Many thanks,
Martin Lueders

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4 years 9 months ago #18 by Martin Lueders
Martin Lueders replied the topic: Requirements for data standards
To make a start:

A representation of muffin-tin based data for potentials and densities has recently been proposed by Peter Krueger. I would suggest to generalize this format to also include a representation for the interstitial space, and include that into either the existing ETSF file standard, or it's successor.

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