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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jun-2020 | /Clean_Surfaces CeZrO2(111)_4x4 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1178.23106099; eV | |||
 | 22-Dec-2017 | Vac-Ot_2xMo(V)-DOS | Rellán, Marcos | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -1072.95355319; eV | |||
 | 22-Dec-2017 | Clean-surface-DOS | Rellán, Marcos | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -1080.95155601; eV | |||
 | 22-Dec-2017 | vac-Ot_Mo(IV)-DOS | Rellán, Marcos | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -1072.94702637; eV | |||
 | 22-Dec-2017 | /HSE06_vacancy_calculations vac-Ot_Mo(IV)_2x2-HSE06 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | - | - | -662.55991015; eV | |||
 | 22-Dec-2017 | /HSE06_vacancy_calculations vac-Ot_2xMo(V)_2x2-HSE06 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | - | - | -662.69216089; eV | |||
 | 22-Dec-2017 | /HSE06_vacancy_calculations clean-surface_2x2-HSE06 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | - | - | -672.79257435; eV |
Results 1-7 of 7 (Search time: 0.001 seconds).