From ultrasoft pseudopotentials to the projector augmented-wave method

American Physical Society (APS) - Tập 59 Số 3 - Trang 1758-1775
Georg Kresse1, Daniel P. Joubert2
1Institüt für Theoretische Physik Technische, Universität Wien, Wiedner Hauptstrasse 8-10/136, A-1040 Wien, Austria
2Physics Department, University of the Witwatersrand, P O Wits 2050, Johannesburg, South Africa

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