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Nonvanishing quadrature derivatives in the analytical gradients of density functional energies in crystals and helices. (arXiv:2204.13769v1 [cond-mat.mtrl-sci]) http://arxiv.org/abs/2204.13769
Nonvanishing quadrature derivatives in the analytical gradients of density functional energies in crystals and helices. (arXiv:2204.13769v1 [cond-mat.mtrl-sci]) http://arxiv.org/abs/2204.13769