Browsing by Author Benzidi, Hind
Showing results 1 to 20 of 1985
next >
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Oct-2023 | ABX3 | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -119.45094588; eV | |||
| 2-Jul-2025 | /bulk bulk | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex | Single point | DFT | - | -262.14410138; eV | |||
| 25-Jun-2025 | /Bulk+Functionals/PBE-nosoc PBE-nosoc | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | Single point | DFT | - | -536.19796329; eV | |||
| 25-Jun-2025 | /Bulk+Functionals/PBE-soc PBE-soc | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex | Single point | DFT | - | -536.91225084; eV | |||
| 2-Jul-2025 | /bulk/4fpsi_bulk 4fpsi_bulk | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -534.92575293; eV | |||
| 2-Jul-2025 | /bulk/bulk_222 bulk_222 | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -4278.75886262; eV | |||
| 2-Jul-2025 | /bulk/epslion epslion | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | Single point | DFT | - | -528.77192056; eV | |||
| 2-Jul-2025 | /bulk/hse hse | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex | Single point | DFT | - | -659.08664858; eV | |||
| 2-Jul-2025 | /bulk/nosoc nosoc | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | Single point | DFT | - | -536.19796329; eV | |||
| 2-Jul-2025 | /bulk/nosoc/old old | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex | Single point | DFT | - | - | |||
| 2-Jul-2025 | /bulk/relax relax | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | - | |||
| 2-Jul-2025 | /bulk/scf scf | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | Single point | DFT | - | -646.42923657; eV | |||
| 2-Jul-2025 | /bulk/soc soc | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex | Single point | DFT | - | -536.91225084; eV | |||
| 2-Jul-2025 | /bulk/supercell_211 supercell_211 | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex | Single point | DFT | - | - | |||
| 2-Jul-2025 | /bulk/supercell_211/old old | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex | Single point | DFT | - | -535.92291736; eV | |||
| 2-Jul-2025 | /bulk/unitcell/band band | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex | Single point | DFT | - | - | |||
| 2-Jul-2025 | /Bulk_structure/Cu2+ Cu2+ | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -76.10308281; eV | |||
| 2-Jul-2025 | /Bulk_structure/Cu2+/phonopy phonopy | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -92.04815399; eV | |||
| 2-Jul-2025 | /Bulk_structure/Cu2O Cu2O | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex | Single point | DFT | - | -47.15692552; eV | |||
| 2-Jul-2025 | /Bulk_structure/Cu2O/surf/slab_001 slab_001 | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex | Single point | DFT | - | -89.84051103; eV |