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ONETEP: linear-scaling density-functional theory with plane-waves P D …
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper18.pdf5 Sep 2005: Clusters ranging in size from ten to 200 atoms have been studied using norm-conservingpseudopotentials [43] in separable form [44], a local density approximation [45, 46] for exchangeand correlation and an -
INSTITUTE OF PHYSICS PUBLISHING JOURNAL OF PHYSICS: CONDENSED MATTER…
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper17.pdf5 Sep 2005: Order-N density functional calculations with ONETEP 5763. 0. 200. 400. 600. ... rcut=infinite. ONETEP, r_cut=infiniteONETEP, r_cut=30a0CASTEP. rcut=15.9 Årcut=infinite. 0. 200. 400. 600. 800.
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