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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Jul-2025/Bulk_structure/CuO/phonopy/disp_002 disp_002Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--65.83754859; eV
Login required2-Jul-2025/Bulk_structure/H2O/phonopy/disp_012 disp_012Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--14.42955788; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/W_rich_regions/W_concentration_series/50_percent_W 50_percent_WBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--43208.88324270; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/antisite_defects/W_Cu_single W_Cu_singleBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--41984.68733148; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_009 disp_009Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--77009.83603757; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_016 disp_016Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--77009.83596349; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/CuOH_2/phonopy/disp_017 disp_017Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--121.35952258; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/CuWO4/phonopy/disp_009 disp_009Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--20048.23754417; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/CuOH2/phonopy/disp_010 disp_010Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--31.23905145; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/surf/slab_011 slab_011Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--40736.29119134; eV
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