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exercises:common:sgcp

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