Description
These are the files to reproduce the benchmark of the new Lobster version that can deal with time-reversal symmetry. This benchmark published here: dx.doi.org/10.1002/jcc.26353. ALL_RESULTS_ABINIT.zip contains the data for all ABINIT/Lobster calculations, ALL_RESULTS_QE.zip contains the data for all Quantum Espresso/Lobster calculations, and ALL_RESULTS_VASP_without_POTCAR.zip contains the data for all VASP/Lobster calculations. In the latter zip folder, we have removed all POTCAR files. Those can be reconstructed with the help of the vasprun.xml and the OUTCAR files.
Resources
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http://data.europa.eu/88u/dataset/oai-zenodo-org-3676916 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-3676916 |
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0 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-3676916 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-3676916 |