Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals

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The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table (2017, methodology): “lar channel, hence it is diﬃcult to ﬁnd NCPPs including semicore states or pseudopotentials with good scattering properties at high energies. Presently many NPCC tables are available: The HGHK tables [8, 9] provides spin orbit coupling but it was not primarily designed for PW applications and, indee”
cp2k: atomistic simulations of condensed matter systems (2014, methodology): “A smooth density is obtained by using dual-space pseudopotentials [66, 67, 68] that are analytically represented by Gaussian functions, fully separable in the nonlocal part, and energy optimized.”
Quantum chemical accuracy from density functional approximations via machine learning (2020, methodology): “The PBE XC functional 104 was used to approximate exchange and correlation, and a mixed Gaussian/plane wave (GPW) basis-set scheme 105 was employed with DZVP-MOLOPT-GTH (m-DZVP) basis sets 106 paired with appropriate dual-space GTH pseudopotentials 107,108 .”