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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/100 POSCAR_3_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -59.33976718; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/100 POSCAR_2_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -67.05949680; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/100 POSCAR_1_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -71.29581142; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/100 POSCAR_2_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -66.66166511; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_8_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -168.95746598; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_8_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -168.50654007; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_8_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -168.49993306; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_8_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -168.08004254; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_9_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -162.36522321; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_9_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -159.22381590; eV |
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