Introduction
============
ESCDF are data representation standards based on
`HDF5 `__ for large data sets
(wave-functions, expansion coefficients, electron density, local density
of states, etc.).
These standards are the result of a collaboration between the ESL, the
`NOMAD Center of Excellence `__, and the `EUSpec
Network `__.
Tools for the simpler reading and writing of these representations are
coded in the library `libescdf `__, which is under
development.
Both the standards and the tools originate from a first standardisation
effort done in the European Nanoquanta Network of Excellence, which
resulted in the `ETSF File Format
Specifications `__.
Motivations
-----------
The main objectives of this data format are the following:
- enable a platform-independent exchange of data between
electronic-structure programs;
- provide specifications which are both flexible and suitable for
High-Performance Computing (HPC);
- hide the gory details of the I/O implementation, in particular the
way parallelism is handled;
- facilitate, strengthen and extend interdisciplinary collaborations
within and without the electronic-structure community.
Use cases
---------
The current version of the format is intended to support the following
use cases:
- restarting a calculation;
- exchanging data between 2 codes in a multi-step calculation;
- visualisation.