Optimization algorithm for the generation of ONCV pseudopotentials
From MaRDI portal
Publication:525641
DOI10.1016/j.cpc.2015.05.011zbMath1360.65181arXiv1502.00995OpenAlexW1695703141MaRDI QIDQ525641
Publication date: 5 May 2017
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1502.00995
Related Items (8)
Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks ⋮ DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization ⋮ Accurate stress calculations based on numerical atomic orbital bases: implementation and benchmarks ⋮ berry: a code for the differentiation of Bloch wavefunctions from DFT calculations ⋮ Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation ⋮ DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations ⋮ KSSOLV 2.0: an efficient Matlab toolbox for solving the Kohn-Sham equations with plane-wave basis set ⋮ Implementation of the Projector Augmented-Wave Method: The Use of Atomic Datasets in the Standard PAW-XML Format
Cites Work
This page was built for publication: Optimization algorithm for the generation of ONCV pseudopotentials
