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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_334 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.58033092; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_266 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.75779805; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_256 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.85487599; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_246 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.63834737; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_245 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.84693452; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_236 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.76525985; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_235 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.89430430; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_234 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.62647390; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_233 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.69224020; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_226 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.77514361; eV |
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