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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Mar-2023 | /NNP_application/Odes 701 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /NNP_application/Odes 706 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/1300 01 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/1300 00 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/1500 48 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /ini_data_source/CuxO/adO/211 POSCAR_2_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -181.19469517; eV | |||
 | 21-Mar-2023 | /ini_data_source/CuxO/adO/211 POSCAR_3_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -174.68432057; eV | |||
 | 21-Mar-2023 | /ini_data_source/CuxO/adO/211 POSCAR_3_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -175.15742191; eV | |||
 | 21-Mar-2023 | /ini_data_source/CuxO/adO/211 POSCAR_3_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -175.19470479; eV | |||
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/1300 02 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - |
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