Lobster Benchmark
收藏NIAID Data Ecosystem2026-03-11 收录
下载链接：
https://zenodo.org/record/3676915
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资源简介：
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.
创建时间：
2020-06-13
