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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 3-Jan-2024 | /EMACs/spin-polarized cu4 | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-47-g7a406a0ec-dirty | Single point | GGAPBE | - | - | - | - | - |
![]() | 3-Jan-2024 | /EMACs/spin-polarized ni3_pyr | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-73-ga645added | Single point | GGAPBE | - | - | - | - | - |
![]() | 3-Jan-2024 | /EMACs/spin-polarized ru3_pyr | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-73-ga645added | Single point | GGAPBE | - | - | - | - | - |
![]() | 3-Jan-2024 | /EMACs/spin-polarized mo2_fe | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-47-g7a406a0ec-dirty | Geometry optimization | GGAPBE | - | - | - | - | - |
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- 34 GGAPBE