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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Nov-2023	/NNP_application/annealing_convergence_test/annealing_temperature/500 19	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	7-Nov-2023	/NNP_application/annealing_convergence_test/annealing_temperature/500 12	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	7-Nov-2023	/NNP_application/annealing_convergence_test/annealing_temperature/500 05	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	7-Nov-2023	/NNP_application/annealing_convergence_test/annealing_temperature/500 06	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu_shell/NEB/1oxygen step3	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/adO/111 POSCAR_4_1	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-169.21347754; eV
	22-Mar-2023	/ini_data_source/CuxO/adO/111 POSCAR_4_2	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-169.30018181; eV
	22-Mar-2023	/ini_data_source/CuxO/adO/111 POSCAR_3_4	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-175.79819112; eV
	7-Nov-2023	/NNP_application/annealing_convergence_test/annealing_rate/03 0_5ns	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/adO/111 POSCAR_1_5	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-187.35364378; eV

Results 1701-1710 of 6322 (Search time: 0.002 seconds).