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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_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -58.56047046; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_6_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -181.86735689; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_7_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -173.95566816; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_7_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -175.24206818; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_7_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -173.82024169; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_2_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -208.84137325; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_2_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -208.84115429; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_2_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -208.84249934; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_2_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -208.01884712; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_15_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -126.94350251; eV |
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