To contribute your data to the repository, please, register for a NOMAD account and login to our Upload page.

A note for returning NOMAD users! We revised the upload process with browser based upload alongside new shell commands. The new Upload page allows you to monitor upload processing and verify processing results before publishing your data to the Repository. We will keep the old upload system available for a short transition period.

The upload page acts as a staging area for your data. It allows you to upload data, to supervise the processing of your data, and to examine all metadata that NOMAD extracts from your uploads. The data on the upload page will be private and can be deleted again. If you are satisfied with our processing, you can publish the data to the NOMAD Repository. Only then, data will become publicly available and cannot be deleted anymore. In the Repository, you will always be able to access, share, and download your data. You may curate your data and create datasets to give them a hierarchical structure.

You should upload many files at the same time by creating .zip or .tar files of your folder structures. Ideally, input and output files are accompanied by relevant auxiliary files. NOMAD will consider everything within a single directory as related. NOMAD currently supports files from the following codes:

BigDFT Elk libAtoms QuantumATK
DMol3 GPAW Phonopy  

We will successively accept data produced by other codes. In case you want to upload files of a code not (yet) listed above, please contact us.

A note for VASP users on the handling of POTCAR files: NOMAD takes care of it; you don't need to worry about it (read more).

Once published to the Repository, data cannot be erased. Linking a corrected version to a corresponding older one ("erratum") will be possible soon. Files from an improved calculation, even for the same material, will be handled as a new entry.

You can publish data as being open access or restricted for up to three years (with embargo). For the latter you may choose with whom you want to share your data. We strongly support the idea of open access and thus suggest to impose as few restrictions as possible from the very beginning. In case of open access data, all uploaded files are downloadable by any user. Additional information, e.g. pointing to publications or how your data should be cited, can be provided after the upload. Also DOIs can be requested. The restriction on data can be lifted at any time. You cannot restrict data that was published as open access.

Some tiny amount of information about your uploaded files — termed metadata — will be open to the public. This concerns chemical formula of the material, its space group, used code and code version, method, upload date, author, co-authors, and provided links and references.

By uploading you confirm authorship of the uploaded calculations. Co-authors must be specified after the publish process. This procedure is very much analogous to the submission of a publication to a scientific journal. Upload of data is free of charge.

In case of any questions, please do not hesitate to contact us: Repository Webmaster

Repository News

Currently, the NOMAD Repository contains 50,236,539 open access total-energy calculations.

New codes supported: BigDFT, CP2K, CPMD, DMol3, Elk, FLEUR, GPAW, MOLCAS, NWChem, octopus, ONETEP, ORCA, SIESTA, and TURBOMOLE

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