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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/Defects_222/2Ii_out/I2 I2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4222.34734004; eV
	2-Jul-2025	/termination/04/zpe2_calculation zpe2_calculation	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-3212.65718050; eV
	2-Jul-2025	/termination/A2_term/clean clean	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-940.11182407; eV
	2-Jul-2025	/scan/chem_pot_scan/chem_pot/Sn Sn	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-139.23135975; eV
	2-Jul-2025	/Defects_222/vsn vsn	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-4214.54911442; eV
	2-Jul-2025	/termination/A2_term/H2O/SCF SCF	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-13.50865910; eV
	2-Jul-2025	/chem_pot/SnI4/scan scan	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-180.98905830; eV
	2-Jul-2025	/chem_pot/Sn/scan scan	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-139.23135975; eV
	2-Jul-2025	/chem_pot/Sn Sn	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-15.12139489; eV
	2-Jul-2025	/Defects_222/2Ii_out/vsn/OH OH	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4079.90127060; eV

Results 98591-98600 of 98612 (Search time: 0.065 seconds).