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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-May-2025	/Ni_F_Ni_1/111_001_2/0/clean opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-396.71516194; eV
	23-Jul-2025	/slabs RuO2(110)	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-899.06307944; eV
	23-Jul-2025	/slabs Ti(0001)	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-360.80727185; eV
	2-Jul-2025	/chem_pot/I2 I2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1.30770500; eV
	22-Jul-2025	of_Cu2Cl4-sing_20250722194149	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-5122.77251789456113; Eh
	2-Dec-2025	/Oxygen-vacancies/In(OH)3-MO2-slabs/In(OH)3-HfO2/Surface In(OH)₃-m-HfO₂-vac-s1	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-508.83772836; eV
	2-Dec-2025	/Oxygen-vacancies/In@MO2-slabs/In@ZrO2/Subsurface In@m-ZrO₂-vac-s3	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-433.28683269; eV
	2-Dec-2025	/Oxygen-vacancies/In@MO2-slabs/In@HfO2/Subsurface In@m-HfO2-vac-s1	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-458.49558958; eV
	2-Dec-2025	/Oxygen-vacancies/In@MO2-slabs/In@ZrO2/Subsurface In@m-ZrO₂-vac-s2	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-433.20406060; eV
	2-Dec-2025	/Oxygen-vacancies/In@MO2-slabs/In@ZrO2/Surface In@t-ZrO₂-vac-s1	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-433.24817148; eV

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