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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Nov-2022	/S_din4_x2_c4_a dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-608.91918376; eV
	23-Nov-2022	/S_din4_x2_c3_b dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-605.00672272; eV
	23-Nov-2022	/S_din4_x2_c4_b sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-604.64961431; eV
	23-Nov-2022	/S_din4_x2_c2_c dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-603.29283447; eV
	23-Nov-2022	/S_din4_x2_c4_e sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-610.65137211; eV
	23-Nov-2022	/S_din4_x2_c2_g dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-598.96076777; eV
	29-Sep-2025	/References/r2SCAN_D3 co2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:48:42) gamma-only	Single point	DFT	-	-25.56409537; eV
	4-Sep-2023	m06SP_TSQ1-7	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311+G(D,P) SDD GENECP	-1139.4331713; Eh
	4-Sep-2023	m06_NBO_H4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311+G(D,P) SDD GENECP	-1139.4551257; Eh
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-bulk/m-ZnZrOx-bulk-2vac m-ZnZrOx-2vac-b-ZnO-6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-888.93809855; eV

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