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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/CuOx_testDD/model_1/HCCO HCCO	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-375.65361233; eV
	2-Jul-2025	/Bulk_structure/Cu2+ Cu2+	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-76.10308281; eV
	2-Jul-2025	/Bulk_structure/HWO4 HWO4	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-18.36438358; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_2_2/phonopy/disp_016 disp_016	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-121.35961600; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_043 disp_043	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.86588698; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_052 disp_052	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.87917470; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_027 disp_027	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.85950182; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_030 disp_030	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41854913; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_010 disp_010	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41702345; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/DFT_U U_5_5	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-20053.12726317; eV

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