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| 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_rate/23 10ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/18 10ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/08 0_01ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/08 0_1ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/08 0_5ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/100 POSCAR_1_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -166.75777499; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/100 POSCAR_2_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -160.44114839; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/100 POSCAR_1_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -168.39825292; eV | |||
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/4ns 23 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/4ns 18 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - |
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