| DFT | density functional theory |
| KS | Kohn–Sham |
| LDA | local-density approximation |
| QS | quasiparticle self-consistent |
| LQS | linearized quasiparticle self-consistent |
| eDMFT | embedded dynamical mean-field theory |
| ICSD-ID | inorganic crystal structure database identifier |
| LOs | local orbitals |
| exp | experimental results |
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