exercises:common:sgcp
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exercises:common:sgcp [2025/06/19 02:54] – jglan | exercises:common:sgcp [2025/06/19 02:54] (current) – [2. Comparison with CPMD and BOMD] jglan | ||
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| Feature | | Feature | ||
- | | SCF at each step | + | | SCF at each step | No | Yes | Partially (predictor-corrector) | |
| Time step | Small (~0.1 fs) | Large (~1 fs) | Large (~1–2 fs) | | | Time step | Small (~0.1 fs) | Large (~1 fs) | Large (~1–2 fs) | | ||
| Conserved quantity preservation | | Conserved quantity preservation |
exercises/common/sgcp.1750301654.txt.gz · Last modified: by jglan