diff --git a/source/_posts/ABACUS_08_04_2025.md b/source/_posts/ABACUS_08_04_2025.md index 45cecfe..8f65ebd 100644 --- a/source/_posts/ABACUS_08_04_2025.md +++ b/source/_posts/ABACUS_08_04_2025.md @@ -61,7 +61,9 @@ Based on the trained DeePSPIN model, Lammps was used for magnetic molecular dyna *Figure 5: The magnetic changes of the BCC-Fe system at different temperatures in the molecular dynamics simulation of heating up, using the DeePSPIN model trained with the data of the numerical atomic orbital (DZP) basis set in ABACUS (red) or the data of the plane wave basis set (blue). The transition of magnetic order occurs at around 1000K.* -![Image](https://github.com/user-attachments/assets/1450bfdf-7ef2-405d-ae32-db53f28c5fa2) +
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*Figure 6: The NPT simulation of heating up from 50K to 1200K for 10ps using the model trained with numerical atomic orbital data. The arrows in the figure represent the magnitude and direction of the atomic magnetic moments. Red and blue represent the positive and negative directions of the magnetic moments along the Z-axis respectively. As the temperature rises, the atomic magnetic moments of the system gradually change from the initial ferromagnetic state where all atomic magnetic moments are uniformly oriented in the positive direction of the Z-axis to a paramagnetic state where the magnetic moments are oriented in various directions.*