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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Sep-2023 | (3,3,1)_1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only | Geometry optimization | DFT | - | -1220.72392887; eV | |||
 | 26-Sep-2023 | (1,0,1)_5 | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -570.84791578; eV | |||
 | 26-Sep-2023 | (1,2,3)_2 | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -940.26806206; eV | |||
 | 26-Sep-2023 | (2,3,3)_3 | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -1416.23557543; eV | |||
 | 26-Sep-2023 | (0,1,3)_3 | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -957.18466046; eV | |||
 | 26-Sep-2023 | (2,1,1)_1 | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -834.72341999; eV | |||
 | 26-Sep-2023 | (0,0,1)_2 | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -93.38671015; eV | |||
 | 26-Sep-2023 | (0,0,1)_1 | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -190.92412143; eV | |||
 | 26-Sep-2023 | (3,0,1)_3 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only | Geometry optimization | DFT | - | -1315.38069041; eV | |||
 | 26-Sep-2023 | (2,0,1)_3 | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -943.48473298; eV |
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