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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/11/111 POSCAR_4_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -104.84492375; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_4_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -105.55125980; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_1_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -127.44955092; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_1_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -127.80485138; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_1_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -127.65092838; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_4_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -49.12682876; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_4_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -51.48615484; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_4_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -50.64895775; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/100 POSCAR_2_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -66.15202406; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/100 POSCAR_2_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -64.62869963; eV |
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