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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Apr-2020	/Surfaces 220_facet	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-46.65299292; eV
	17-Apr-2020	/H_coverage/MEMI_Znse/Added_electron Site_4	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-324.34511246; eV
	17-Apr-2020	/H_coverage/Bare_ZnSe/Neutral Site_5	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-51.37420374; eV
	17-Apr-2020	/H_coverage/Bare_ZnSe/Neutral Site_6	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-50.95369302; eV
	17-Apr-2020	/H_coverage/Bare_ZnSe/Added_electron Site_6	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-52.34211099; eV
	17-Apr-2020	/H_coverage/Bare_ZnSe/Added_electron Site_5	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-53.58488532; eV
	17-Apr-2020	/H_coverage/Bare_ZnSe/Added_electron Site_8	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-53.58454710; eV
	17-Apr-2020	/Molecules H2	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-6.77207933; eV
	17-Apr-2020	/Molecules H2O	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-14.23261679; eV
	24-May-2023	Bulk	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-64.02986367; eV

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