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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Pt_P_rol1_din2_c1_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--648.60215116; eV
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Cu_P_rol1_din2_c1_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--646.49418502; eV
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Ni_P_rol1_din2_c1_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--647.18562314; eV
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Co_P_rol1_din2_c1_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--648.90331658; eV
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Ir_P_rol1_din2_c1_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--649.76327852; eV
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Fe_P_rol1_din2_c1_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--649.78528650; eV
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Fe_P_rol1_din2_c1_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--650.40953206; eV
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Cu_P_rol1_din2_c1_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--645.65965356; eV
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Os_P_rol1_din2_c1_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--650.86476662; eV
Login required26-Oct-2022/M_P_rol1_din2_c1_a/Co_P_rol1_din2_c1_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--648.35294128; eV
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