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 | 482 | October 25, 2018 |
| Optical spectrum of Zeolite |
|
1 | 147 | December 12, 2023 |
| High-symmetry k-points |
|
1 | 692 | October 29, 2018 |
| Convergence issues |
|
1 | 2465 | October 29, 2018 |
| The eggbox-effect in DFT calculations |
|
1 | 1911 | October 29, 2018 |
| MeshCutOff convergence |
|
1 | 603 | October 29, 2018 |
| MeshCutoff option |
|
1 | 1558 | October 29, 2018 |
| Size of the box: Adding vacuum |
|
1 | 761 | October 29, 2018 |
| k-points convergence |
|
1 | 786 | October 29, 2018 |
| Number of k-points used in a SIESTA calculation |
|
1 | 893 | October 29, 2018 |