CP2K calculations for Deltatest structures with revised MOLOPT Basis Sets and Pseudopotentials
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Covering PBE and PBEsol functionals, and FP-LAPW, PW, GAPW, GPW.
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2025-09-22
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Covering PBE and PBEsol functionals, and FP-LAPW, PW, GAPW, GPW.