Publication date: Oct 19, 2023
Testing OPTIMADE on record https://doi.org/10.24435/materialscloud:5j-9m The original authors of this entry are: Jonathan Schmidt1, Hai-Chen Wang1, Tiago F. T. Cerqueira2, Silvana Botti3*, Miguel A. L. Marques1* 1 Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, 06120 Halle (Saale), Germany. 2 CFisUC, Department of Physics, University of Coimbra, Rua Larga, 3004-516 Coimbra, Portugal 3 Institut für Festkörpertheorie und -optik and European Theoretical Spectroscopy Facility, Friedrich-Schiller-Universität Jena, D-07743 Jena, Germany
No Explore or Discover sections associated with this archive record.
File name | Size | Description |
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README.txt
MD5md5:49398ec6e4b309a65a59da3902dfe7f1
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4.0 KiB | Instructions on how to read the data, meaning of the columns in ps_scan_summary.txt, list of pseudopotentials |
alexandria_ps_000.json.bz2
MD5md5:2517b7a0c7376b1499511ebf81e87fbe
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39.9 MiB | PBEsol calculations, batch 000 |
alexandria_ps_001.json.bz2
MD5md5:9956e9b0338e334213268b130ff2062d
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43.4 MiB | PBEsol calculations, batch 001 |
alexandria_ps_002.json.bz2
MD5md5:6a3070a6cb4212e0d4c2b99b88ac56d3
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42.2 MiB | PBEsol calculations, batch 002 |
alexandria_ps_003.json.bz2
MD5md5:6bd4c3a83277cd832a9a8a0567c7f4f4
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38.3 MiB | PBEsol calculations, batch 003 |
alexandria_ps_004.json.bz2
MD5md5:035d46b9511999ad3a36a292ff58f0ec
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4.9 MiB | PBEsol calculations, batch 004 |
alexandria_scan_000.json.bz2
MD5md5:9bf297a043f834e12f22d561ca5205aa
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40.8 MiB | SCAN calculations, batch 000 |
alexandria_scan_001.json.bz2
MD5md5:c333a06daae27fc7538f8144a294ff63
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44.3 MiB | SCAN calculations, batch 001 |
alexandria_scan_002.json.bz2
MD5md5:46af93bd5a735de7fcb56df2123da167
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43.1 MiB | SCAN calculations, batch 002 |
alexandria_scan_003.json.bz2
MD5md5:a77e3ed270cc4717a93fc85c5b7b9178
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39.1 MiB | SCAN calculations, batch 003 |
alexandria_scan_004.json.bz2
MD5md5:519fafa79543bbe4769099e1214344c0
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5.0 MiB | SCAN calculations, batch 004 |
optimade.yaml
MD5md5:adcde0cf06032c809a1634926be07c7d
Go to the OPTIMADE API
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2.1 KiB | OPTIMADE API config file |
No external references available for this Materials Cloud Archive record.
2023.11 (version v1) [This version] | Oct 19, 2023 | DOI10.24435/materialscloud:tp-2g |