To contribute your data to the repository, please, register, or login to your account at the Search and download page.

You will then be able to upload input and output files and all the auxiliary files contained in the folder from any Unix PC with a single console command. Your own data will be associated with your account, and you will always be able to access, share, and download them. You may create datasets to give them a hierarchical structure.

Upload of input and output files is currently available for the following codes:

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).

Uploaded 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 new entry.

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.

We distinguish between data being open access or restricted for up to three years. 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.

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

Default data permission and ‘RESTRICTED_MM’ file

All uploaded data will be open access by default. To make them restricted upon upload, the user must provide an empty file whose name is ‘RESTRICTED_MM’, where MM is a number running from 01 to 36, indicating after how many months the data will become open access. The ‘RESTRICTED_MM’ file must be put in one of the parent folders inside your upload. All the files in this upload will be restricted.

In case of any questions, please do not hesitate to contact us.

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

Upload from MedeA possible ... more