Systematic pseudopotentials from reference eigenvalue sets for DFT calculations

Pablo Rivero, Víctor Manuel García-Suárez, David Pereñiguez, Kainen Utt, Yurong Yang, Laurent Bellaiche, Kyungwha Park, Jaime Ferrer, Salvador Barraza-Lopez
  • Computational Materials Science, February 2015, Elsevier
  • DOI: 10.1016/j.commatsci.2014.11.026

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http://dx.doi.org/10.1016/j.commatsci.2014.11.026

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