Data for "Low-rank inversion for single-node 10K-atom plane-wave GW calculations"
收藏资源简介:
This dataset contains the calculation data used to generate the figures and tables in the paper "Low-rank inversion for single-node 10K-atom plane-wave GW calculations" (processed numerical results; plotting scripts are also included). Directories are ordered as in the manuscript: main-text Figs. 1-4, then Supplemental Material (SM) Figs. 1-4, then supporting SM tables. For how the data were generated, please see the README.md in the accompanying Git repository: https://github.com/Paulzzb/GW_submodule/tree/GW_SMW. Related preprint: https://arxiv.org/abs/2403.12340 The production GW implementation used in this work is available from the corresponding author upon reasonable request. Descriptions of the contents in each directory are described in the README.md



