Table 1 Approximate average computational cost per compound in various beyond-DFT approaches.
From: Systematic beyond-DFT study of binary transition metal oxides
Approach | # cores | Wall time (h) | cpu-hours |
---|---|---|---|
mBJ | 10 | 0.04 | 0.4 |
GW\({}_{0}\) | 160 | 1.8 | 300 |
B3LYP | 48 | 32 | 2200 |
eDMFT | 350 | 5.7 | 2000 |