Lobster Benchmark
收藏数据链接:
官方服务:
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.
提供机构:
Zenodo创建时间:
2020-02-27



