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

Michiel J. van Setten; Matteo Giantomassi; Éric Bousquet; Matthieu J. Verstraete; D. R. Hamann; Xavier Gonze; Gian‐Marco Rignanese

doi:10.1016/j.cpc.2018.01.012

Keywords

PseudopotentialRotation formalisms in three dimensionsCutoffComputer scienceNorm (philosophy)Statistical physicsApplied mathematicsMathematicsPhysicsQuantum mechanicsGeometry

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Publication Info

Year: 2018
Type: article
Volume: 226
Pages: 39-54
Citations: 1832
Access: Closed

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APA Style

                            
                                    Michiel J. van Setten, 
                                
                                    Matteo Giantomassi, 
                                
                                    Éric Bousquet
                                
                                et al.
                            
                            (2018). 
                            The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table. 
                            Computer Physics Communications
                            , 226
                            
                            , 39-54.
                            https://doi.org/10.1016/j.cpc.2018.01.012

Identifiers

DOI: 10.1016/j.cpc.2018.01.012
arXiv: 1710.10138

Data Quality

Data completeness: 75%