A note for VASP users on the handling of POTCAR files:

We understand that according to your VASP license, POTCAR files are not supposed to be visible to the public. Thus, in agreement with Georg Kresse, NOMAD will extract the most important information of POTCAR files and store it in the files named POTCAR.stripped. These files can be assessed and downloaded by anyone, while the original POTCAR files are only available to the uploader and assigned co-authors. This is done automatically; you don't need to do anything.

Repository News

Materials Project raw data (input and output files) directly accessible via the MP webpage by a link to NOMAD ...more  

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

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March 2-4, 2021


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

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