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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/Cu4H2O/phonopy/disp_001 disp_001Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/H2/phonopy/disp_002 disp_002Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--6.56778699; eV
Login required2-Jul-2025/Bulk_structure/INCAR_config_1 U_4_0Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--733.49600689; eV
Login required2-Jul-2025/Bulk_structure/CuO/phonopy/disp_004 disp_004Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--65.83731069; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/Cu3WO6/phonopy/disp_006 disp_006Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--10288.89244904; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/CuWO4/phonopy/disp_016 disp_016Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--20048.24064687; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_027 disp_027Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41313507; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_025 disp_025Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41761378; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_001 disp_001Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41629009; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_3/config_0 config_0Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--20053.38609697; eV
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