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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/Pristine h2-hom-b-sro	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-421.60106537; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Pristine h2o-ads-in2o3	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1261.72785804; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Pristine h2o-ads-geo2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-870.35833949; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Pristine h2o-ads-sio2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1029.22613626; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine cl-m-a-tio2	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1164.49885591; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine cl-m-in2o3	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1120.60574029; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_063 disp_063	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60834461; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_019 disp_019	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60707480; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_062 disp_062	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60890813; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_031 disp_031	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60813103; eV

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