Reviews on DFT for metals

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Challenging inputs and recipes for self-consistent field codes

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Reviews on DFT for metals #1

Open jtkrogel opened 2 years ago

jtkrogel commented 2 years ago

Place links here to review articles discussing techniques to improve DFT convergence in metals

jtkrogel commented 2 years ago

THE JOURNAL OF CHEMICAL PHYSICS 145, 220901 (2016) Perspective: Methods for large-scale density functional calculations on metallic systems Jolyon Aarons, Misbah Sarwar, David Thompsett, and Chris-Kriton Skylaris https://aip.scitation.org/doi/pdf/10.1063/1.4972007