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Data supporting "Computing the self-consistent field in Kohn-Sham density functional theory"

Authors
  • Woods, Nicholas
  • Payne, Michael
  • Hasnip, Philip
Publication Date
Jul 19, 2019
Source
Apollo - University of Cambridge Repository
Keywords
License
Green
External links

Abstract

This is all data associated with the publication "Computing the self-consistent field in Kohn-Sham density functional theory". Included are the scripts to obtain the data, the test suite on which the scripts should be run, and the efficiency and robustness scores that were obtained for each method. See also the README file.

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