The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

2018/02/06 by Michiel J. van Setten, M.J. van Setten, M. Giantomassi +11 · 133 citations
Engineering · Physics and Astronomy · Materials Science · #Thermodynamic and Structural Properties of Metals and Alloys #Nuclear Physics and Applications #Nuclear Materials and Properties

paper · doi:10.1016/j.cpc.2018.01.012

Citations

• Optimization algorithm for the generation of ONCV pseudopotentials

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