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 | 216 | October 25, 2018 |
| High-symmetry k-points |
|
1 | 384 | October 29, 2018 |
| Convergence issues |
|
1 | 1465 | October 29, 2018 |
| The eggbox-effect in DFT calculations |
|
1 | 1022 | October 29, 2018 |
| MeshCutOff convergence |
|
1 | 296 | October 29, 2018 |
| MeshCutoff option |
|
1 | 835 | October 29, 2018 |
| Size of the box: Adding vacuum |
|
1 | 391 | October 29, 2018 |
| k-points convergence |
|
1 | 282 | October 29, 2018 |
| Number of k-points used in a SIESTA calculation |
|
1 | 550 | October 29, 2018 |