Convergence
k-points Discussion about k-points. Real Space Box Size of the box MeshCutOff and more. SCF Self-Consistent Field (SCF).
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Convergence of SIESTA parameters |
|
0 | 523 | October 25, 2018 |
| Optical spectrum of Zeolite |
|
1 | 238 | December 12, 2023 |
| High-symmetry k-points |
|
1 | 760 | October 29, 2018 |
| Convergence issues |
|
1 | 2662 | October 29, 2018 |
| The eggbox-effect in DFT calculations |
|
1 | 2110 | October 29, 2018 |
| MeshCutOff convergence |
|
1 | 663 | October 29, 2018 |
| MeshCutoff option |
|
1 | 1740 | October 29, 2018 |
| Size of the box: Adding vacuum |
|
1 | 812 | October 29, 2018 |
| k-points convergence |
|
1 | 952 | October 29, 2018 |
| Number of k-points used in a SIESTA calculation |
|
1 | 947 | October 29, 2018 |