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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface h2-hom-a-sio2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1005.40237205; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface h2-hom-a-ceo2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-342.01453475; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface h2-hom-b-ceo2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-342.01453475; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface h2-hom-b-zno	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-234.55355901; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface h2o-ads-mgo	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-419.76709043; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_033 disp_033	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60573844; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60891522; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_065 disp_065	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60861502; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_034 disp_034	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60762869; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_110 disp_110	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60865399; eV

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